data_1wjb_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 1wjb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.392 0.615 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.7 -41.31 94.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.547 -0.72 . . . . 0.0 111.009 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.11 -41.11 99.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.969 -1.082 . . . . 0.0 110.062 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.47 96.08 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.34 -39.94 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.517 -0.99 . . . . 0.0 110.288 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.06 -46.67 88.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.996 -1.065 . . . . 0.0 109.784 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -69.58 -40.08 76.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.874 -1.141 . . . . 0.0 109.132 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.42 132.74 53.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.208 -0.933 . . . . 0.0 110.196 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 4.0 tp10 -158.31 -149.61 0.23 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 79.8 mt-10 -80.95 155.1 26.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.053 -1.03 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.32 78.72 1.0 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.423 -0.798 . . . . 0.0 109.158 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -100.38 -155.98 0.53 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.369 -0.832 . . . . 0.0 109.911 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' A' ' 17' ' ' SER . 60.3 mttp -69.77 -30.9 68.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.417 -0.802 . . . . 0.0 109.13 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -59.94 -39.99 87.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.461 -0.774 . . . . 0.0 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.39 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 96.6 p -60.41 -49.03 79.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.946 -1.097 . . . . 0.0 108.866 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -95.37 91.56 6.29 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.341 -0.849 . . . . 0.0 108.868 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.02 -27.28 64.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 110.009 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -39.98 88.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.153 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.83 94.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.083 -1.011 . . . . 0.0 109.561 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.89 -42.35 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.022 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.74 95.32 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.14 -0.975 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -70.06 -39.98 75.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 109.749 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.75 -39.98 90.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 109.976 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -99.22 0.56 43.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.313 -0.867 . . . . 0.0 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 53.27 44.74 29.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.793 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.2 mt -113.37 150.91 43.88 Favored Pre-proline 0 N--CA 1.499 2.017 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.9 Cg_endo -67.95 145.35 67.68 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 121.287 1.324 . . . . 0.0 110.805 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.23 -18.1 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.313 2.009 . . . . 0.0 113.087 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.2 t -59.98 -50.05 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.95 -1.094 . . . . 0.0 110.693 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.71 -41.98 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.8 -1.188 . . . . 0.0 109.58 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 110.279 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.9 -39.46 89.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -0.983 . . . . 0.0 110.162 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.59 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.849 -1.157 . . . . 0.0 108.809 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.84 -40.03 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.43 -0.794 . . . . 0.0 108.904 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.75 89.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.586 -0.696 . . . . 0.0 109.671 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -72.7 -39.96 66.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 110.278 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 t -75.85 112.62 12.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.988 -1.07 . . . . 0.0 108.754 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 110.365 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.88 -39.99 91.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.086 -1.009 . . . . 0.0 109.997 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -77.71 -27.72 50.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.87 -1.143 . . . . 0.0 110.089 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.448 HE21 ' HG3' ' B' ' 44' ' ' GLN . 58.2 tt0 . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.147 -0.97 . . . . 0.0 110.56 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.445 0.64 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.48 -41.7 94.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 110.959 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.89 -40.94 99.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -38.47 96.17 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.25 -40.0 85.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.519 -0.989 . . . . 0.0 110.269 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.98 -46.87 88.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.943 -1.098 . . . . 0.0 109.816 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.49 -40.04 77.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.138 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.06 80.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.516 -0.74 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.63 133.18 54.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 4.0 tp10 -158.68 -149.55 0.22 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.415 -0.803 . . . . 0.0 109.12 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 80.0 mt-10 -80.84 155.17 26.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.073 -1.017 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.57 78.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 0.0 109.072 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -100.3 -155.84 0.53 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.419 -0.8 . . . . 0.0 109.858 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.431 ' O ' ' OG ' ' B' ' 17' ' ' SER . 60.2 mttp -69.91 -30.8 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.08 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.389 -0.819 . . . . 0.0 109.005 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.07 -40.93 91.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.16 -0.963 . . . . 0.0 109.43 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 96.5 p -60.17 -49.1 78.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.859 -1.15 . . . . 0.0 108.911 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -95.25 91.43 6.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.164 -0.96 . . . . 0.0 109.001 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -70.01 -27.22 64.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.957 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.198 -0.939 . . . . 0.0 110.048 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.81 94.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 109.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.4 ttp -60.91 -42.24 97.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.64 95.37 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -70.0 -40.03 75.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 109.752 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.71 -40.0 90.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.926 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -99.21 0.5 43.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 109.505 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 53.31 44.74 29.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.406 -0.809 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -113.4 150.89 43.86 Favored Pre-proline 0 N--CA 1.501 2.103 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 31' ' ' VAL . 40.1 Cg_endo -67.84 145.33 68.27 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.309 1.339 . . . . 0.0 110.809 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -40.22 -18.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.343 2.029 . . . . 0.0 113.112 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.2 t -59.94 -49.93 82.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.958 -1.089 . . . . 0.0 110.711 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.8 -42.0 85.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.799 -1.188 . . . . 0.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.45 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.193 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -61.11 -39.28 89.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.144 -0.972 . . . . 0.0 110.239 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.967 -1.083 . . . . 0.0 109.609 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -39.98 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.872 -1.142 . . . . 0.0 108.87 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.85 -39.98 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.842 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.92 89.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.556 -0.715 . . . . 0.0 109.634 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.4 m -72.62 -40.01 66.81 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.893 . . . . 0.0 110.309 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.74 112.56 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.964 -1.085 . . . . 0.0 108.667 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.97 -39.98 91.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.103 -0.998 . . . . 0.0 109.949 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 m -77.75 -27.57 50.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.957 -1.089 . . . . 0.0 110.149 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.448 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.0 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.058 . . . . 0.0 110.646 -178.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.484 0.659 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.27 -39.99 88.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.491 -0.756 . . . . 0.0 110.144 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.08 -49.98 75.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.171 -0.956 . . . . 0.0 110.412 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.99 96.64 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.4 mt -64.77 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.99 . . . . 0.0 110.247 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.0 -47.87 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.038 -1.039 . . . . 0.0 109.56 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.37 -40.06 81.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.164 -0.96 . . . . 0.0 108.998 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.82 70.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.566 -0.709 . . . . 0.0 109.872 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.5 tt0 -61.19 127.16 30.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.388 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -149.29 -164.44 2.03 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.419 -0.801 . . . . 0.0 109.173 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -79.88 156.21 27.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.428 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 67.0 t60 -69.61 72.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.2 -0.937 . . . . 0.0 109.467 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.08 -151.19 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.9 -30.99 68.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.215 -0.928 . . . . 0.0 109.922 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -59.98 -39.98 87.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.08 -1.012 . . . . 0.0 109.786 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.43 -39.99 89.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.01 -1.056 . . . . 0.0 109.56 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -61.19 -45.29 95.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.093 . . . . 0.0 109.227 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -96.32 89.9 5.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.279 -0.888 . . . . 0.0 109.346 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -70.02 -27.18 64.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.16 -0.962 . . . . 0.0 109.247 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.57 -39.92 89.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.73 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.002 -1.061 . . . . 0.0 108.83 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.71 -43.12 99.64 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.505 -0.747 . . . . 0.0 109.532 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.03 -44.24 96.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.119 -0.988 . . . . 0.0 109.816 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.7 m -68.33 -40.05 81.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.32 -41.82 94.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 110.334 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -102.33 -0.01 33.45 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.44 -0.788 . . . . 0.0 110.031 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.7 m-20 55.82 43.15 28.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.498 -0.751 . . . . 0.0 110.786 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.41 150.93 43.35 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -68.38 149.38 75.09 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 121.555 1.503 . . . . 0.0 111.288 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.73 -18.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.114 1.876 . . . . 0.0 112.4 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.5 t -59.98 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.046 -1.034 . . . . 0.0 110.793 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.72 -43.45 82.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.789 -1.194 . . . . 0.0 109.249 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.76 93.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.256 -0.903 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.52 -40.05 96.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 35' ' ' GLU . 2.7 tm-20 -60.82 -40.03 91.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.859 -1.15 . . . . 0.0 109.572 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.8 -40.0 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.984 -1.073 . . . . 0.0 108.664 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.89 -39.99 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.62 78.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.648 . . . . 0.0 109.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.75 -37.58 65.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.011 . . . . 0.0 110.271 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -74.84 114.73 13.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.837 -1.164 . . . . 0.0 109.371 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.14 -39.95 88.11 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.239 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -61.32 -44.45 97.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.061 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 12.0 m -79.98 -32.52 39.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.017 -1.052 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.459 -0.775 . . . . 0.0 112.058 -176.795 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.507 0.67 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.15 -40.07 88.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.377 -0.827 . . . . 0.0 110.139 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.03 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.113 -0.992 . . . . 0.0 110.406 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -40.03 96.7 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' B' ' 9' ' ' GLN . 78.5 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -1.028 . . . . 0.0 110.241 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.08 -47.88 84.06 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 109.516 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.27 -39.97 82.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.152 -0.968 . . . . 0.0 108.974 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -32.79 70.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.535 -0.728 . . . . 0.0 109.868 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.3 tt0 -61.18 127.24 30.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.266 -0.896 . . . . 0.0 109.361 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -149.44 -164.35 2.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.425 -0.797 . . . . 0.0 109.158 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -79.97 156.29 27.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.377 -0.827 . . . . 0.0 109.64 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 66.7 t60 -69.63 71.99 0.34 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.077 -1.014 . . . . 0.0 109.515 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -100.92 -151.12 0.4 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.488 -0.757 . . . . 0.0 109.53 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.05 -30.74 68.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 109.927 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.941 -1.099 . . . . 0.0 109.571 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -61.08 -45.53 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.968 -1.083 . . . . 0.0 109.201 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -96.34 90.39 5.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.202 -0.936 . . . . 0.0 109.293 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -69.97 -27.37 64.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.187 -0.945 . . . . 0.0 109.275 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 110.079 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.075 -1.015 . . . . 0.0 108.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.6 -43.1 99.67 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.88 -44.34 96.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.858 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -68.29 -40.06 81.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.937 . . . . 0.0 110.082 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.4 -41.88 94.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.337 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -102.38 0.06 33.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.325 -0.86 . . . . 0.0 110.044 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 23' ' ' ALA . 95.7 m-20 55.8 42.9 28.56 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.809 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.97 150.87 43.02 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.3 Cg_endo -68.54 149.51 74.34 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.432 1.421 . . . . 0.0 111.413 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -40.69 -18.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.242 1.961 . . . . 0.0 112.42 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.8 t -60.11 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.031 -1.043 . . . . 0.0 110.688 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.76 -43.65 82.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.352 -0.842 . . . . 0.0 109.817 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.45 -40.02 96.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 110.032 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.418 ' O ' ' OE2' ' B' ' 35' ' ' GLU . 2.7 tm-20 -60.87 -39.95 91.16 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.959 -1.088 . . . . 0.0 109.603 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.98 -39.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.061 -1.025 . . . . 0.0 108.644 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.88 -39.99 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.56 78.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.581 -0.7 . . . . 0.0 109.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -73.77 -37.59 64.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.103 -0.998 . . . . 0.0 110.255 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.94 114.73 13.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.88 -1.137 . . . . 0.0 109.313 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.21 -40.08 88.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.09 -44.44 97.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -0.96 . . . . 0.0 110.123 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 11.5 m -79.93 -32.42 40.08 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.029 -1.045 . . . . 0.0 110.449 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.382 -0.824 . . . . 0.0 112.059 -176.804 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.461 0.648 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.24 -40.05 94.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 110.492 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 -41.88 95.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.011 -1.055 . . . . 0.0 110.423 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.59 96.59 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.78 -40.19 85.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.607 -0.937 . . . . 0.0 110.332 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.95 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.764 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -68.55 -41.18 80.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.309 -0.957 . . . . 0.0 109.204 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.73 74.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.356 -0.84 . . . . 0.0 109.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.16 137.5 58.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.015 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.03 -174.96 3.5 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' GLU . 33.9 tt0 -62.6 149.95 41.92 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.179 -0.95 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.0 t60 -64.14 75.67 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.392 -0.818 . . . . 0.0 109.849 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 91.9 mt-10 -90.03 -162.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.477 -0.764 . . . . 0.0 109.847 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.53 -30.04 67.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.837 . . . . 0.0 109.958 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -59.88 -32.43 70.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.247 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.02 -40.29 88.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.77 -1.206 . . . . 0.0 109.348 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.604 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 83.1 p -60.4 -40.58 91.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.949 -1.094 . . . . 0.0 108.551 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.604 ' N ' ' HG ' ' A' ' 17' ' ' SER . 98.3 m-20 -98.87 82.81 2.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.673 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -70.12 -26.8 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.186 -0.946 . . . . 0.0 109.486 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -61.42 -40.91 96.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.053 -1.029 . . . . 0.0 109.802 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.875 . . . . 0.0 109.434 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.87 -40.92 97.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.209 -0.932 . . . . 0.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.03 98.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.005 -1.06 . . . . 0.0 109.6 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.63 -40.18 76.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.424 -0.798 . . . . 0.0 110.319 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.12 -40.04 92.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.129 -0.982 . . . . 0.0 110.092 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -99.14 0.3 43.18 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.379 -0.825 . . . . 0.0 109.537 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.42 42.93 31.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.5 -0.75 . . . . 0.0 110.481 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -112.15 150.52 42.58 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.9 Cg_endo -68.7 147.23 69.18 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.602 1.535 . . . . 0.0 111.303 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.07 -18.77 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.401 2.067 . . . . 0.0 112.478 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -59.87 -50.18 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.02 . . . . 0.0 110.322 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -40.21 79.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.69 97.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.79 -39.03 87.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.262 -0.899 . . . . 0.0 109.531 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -59.9 -42.15 93.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 0.0 109.795 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.59 -40.75 87.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 120.9 -1.125 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.81 -39.94 84.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.209 -0.932 . . . . 0.0 108.944 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.78 90.61 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.474 -0.766 . . . . 0.0 109.911 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -72.24 -37.53 69.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.184 -0.948 . . . . 0.0 109.994 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.6 t -75.14 107.65 7.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.956 -1.09 . . . . 0.0 109.26 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.01 -39.96 87.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.373 -0.829 . . . . 0.0 110.395 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.16 -0.962 . . . . 0.0 109.651 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.5 m -73.21 -35.4 66.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.081 . . . . 0.0 109.212 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.634 HE21 ' HG3' ' B' ' 44' ' ' GLN . 49.8 tt0 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.506 -0.746 . . . . 0.0 110.592 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.421 0.629 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.53 -40.23 93.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.69 -41.19 96.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.03 -1.044 . . . . 0.0 110.669 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.57 -37.64 94.68 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.27 -39.59 83.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.711 -0.876 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.66 -46.58 89.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -68.37 -41.26 80.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.142 -0.974 . . . . 0.0 109.204 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.51 74.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.527 -0.733 . . . . 0.0 109.943 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.3 137.78 58.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.04 -174.76 3.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' B' ' 13' ' ' GLU . 33.9 tt0 -63.12 149.8 44.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.202 -0.936 . . . . 0.0 109.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -63.71 76.49 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.466 -0.771 . . . . 0.0 109.711 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 11' ' ' GLU . 91.8 mt-10 -91.19 -162.29 0.9 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.386 -0.821 . . . . 0.0 109.81 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.62 -29.8 67.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.544 -0.722 . . . . 0.0 110.025 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -60.07 -32.88 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.078 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.98 -40.23 88.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.74 -1.225 . . . . 0.0 109.37 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.603 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 84.3 p -60.58 -40.24 91.0 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.919 -1.113 . . . . 0.0 108.8 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.603 ' N ' ' HG ' ' B' ' 17' ' ' SER . 98.3 m-20 -99.08 82.7 2.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.472 -0.768 . . . . 0.0 109.393 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.02 -27.37 64.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -61.06 -40.77 94.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.634 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttp -64.32 -41.12 96.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 0.0 109.681 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.92 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.029 -1.045 . . . . 0.0 109.49 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.8 t -69.97 -40.1 75.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.488 -0.758 . . . . 0.0 110.314 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.97 -40.06 91.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -99.23 0.41 43.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.271 -0.893 . . . . 0.0 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.37 43.16 30.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.473 -0.767 . . . . 0.0 110.478 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -111.86 150.92 43.05 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.8 Cg_endo -68.66 147.31 69.59 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.565 1.51 . . . . 0.0 111.3 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -40.27 -18.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.3 2.0 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.6 t -59.85 -50.2 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.07 -1.019 . . . . 0.0 110.51 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.23 -40.27 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.086 -1.008 . . . . 0.0 108.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.42 96.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.682 -0.636 . . . . 0.0 109.652 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -60.99 -38.68 86.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.0 109.32 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.0 -42.12 93.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.81 -40.61 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 120.848 -1.158 . . . . 0.0 109.074 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.03 -40.24 85.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.56 90.73 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.493 -0.755 . . . . 0.0 109.836 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -71.96 -38.85 69.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.34 -0.85 . . . . 0.0 110.06 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 t -74.46 108.15 7.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.906 -1.121 . . . . 0.0 109.24 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.61 -39.61 88.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.506 -0.746 . . . . 0.0 110.483 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.09 -39.77 87.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.049 -1.032 . . . . 0.0 109.593 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -73.71 -34.44 64.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.911 -1.118 . . . . 0.0 108.848 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.634 ' HG3' HE21 ' A' ' 44' ' ' GLN . 8.9 tt0 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 121.651 -0.656 . . . . 0.0 110.581 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.384 0.612 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.47 -40.27 90.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.441 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -61.91 -50.07 73.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.074 -1.016 . . . . 0.0 109.439 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.86 -36.88 89.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 5' ' ' ILE . 59.0 mt -63.65 -40.11 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -1.148 . . . . 0.0 109.735 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.18 -48.33 82.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.027 . . . . 0.0 109.667 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.9 -39.96 75.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.888 -1.132 . . . . 0.0 109.175 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -34.17 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.449 -0.782 . . . . 0.0 109.797 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.15 133.52 55.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.52 -164.63 2.07 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.252 -0.905 . . . . 0.0 110.091 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.15 154.34 39.14 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.334 -0.854 . . . . 0.0 109.493 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -73.32 67.83 1.02 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.314 -0.866 . . . . 0.0 109.227 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 18.8 tt0 -101.52 -149.52 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.658 -0.651 . . . . 0.0 109.682 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 17' ' ' SER . 66.7 mmtt -70.05 -32.41 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.777 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -60.42 -40.07 89.7 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.524 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 79.6 p -64.64 -45.1 88.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.121 -0.987 . . . . 0.0 108.901 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -91.95 81.09 5.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.176 -0.953 . . . . 0.0 108.818 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -70.03 -26.71 64.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.451 -0.78 . . . . 0.0 110.034 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -60.64 -40.32 91.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.12 88.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -60.55 -43.79 96.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.28 -0.887 . . . . 0.0 109.722 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.88 95.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.669 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -67.27 -40.26 86.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 0.0 110.591 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.0 -40.49 97.92 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.232 -0.917 . . . . 0.0 109.933 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.27 4.37 44.14 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 52.61 46.49 26.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.0 110.433 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 mt -118.21 150.99 48.64 Favored Pre-proline 0 N--CA 1.506 2.332 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.4 Cg_endo -71.48 151.47 59.2 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.215 1.277 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.85 -18.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.076 1.851 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 76.0 t -60.01 -51.07 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 111.066 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.2 -42.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.874 -1.141 . . . . 0.0 109.534 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.42 99.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.083 -1.011 . . . . 0.0 109.716 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.11 -40.1 92.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.249 -0.907 . . . . 0.0 110.301 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -60.07 -39.83 87.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.847 -1.158 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.1 mt -64.64 -40.19 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 108.252 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.64 -40.12 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.432 -0.793 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.23 76.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.775 . . . . 0.0 109.567 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.1 m -72.38 -38.83 68.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.633 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.65 112.32 9.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -60.3 -40.18 89.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.52 -0.737 . . . . 0.0 110.114 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.83 -45.09 93.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.74 -34.67 52.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.941 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.432 -178.42 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.412 0.625 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.45 -40.36 90.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 0.0 110.352 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 0.6 OUTLIER -61.73 -50.36 72.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.892 -1.13 . . . . 0.0 109.409 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.11 -36.91 84.11 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.438 HG22 HD11 ' B' ' 5' ' ' ILE . 57.5 mt -63.88 -39.9 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -1.11 . . . . 0.0 109.866 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -60.52 -47.72 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.098 -1.001 . . . . 0.0 109.981 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.86 -40.09 75.98 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.89 73.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.507 -0.745 . . . . 0.0 110.075 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.78 132.09 51.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 109.151 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -147.73 -165.0 2.14 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.157 -0.964 . . . . 0.0 110.124 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.84 155.44 38.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.544 -0.722 . . . . 0.0 109.256 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -74.06 68.27 1.38 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.316 -0.865 . . . . 0.0 109.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 20.2 tt0 -101.64 -149.74 0.39 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.554 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' B' ' 17' ' ' SER . 66.2 mmtt -70.07 -32.15 70.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.396 -0.815 . . . . 0.0 109.779 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.71 -40.28 87.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.971 -1.081 . . . . 0.0 109.596 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.11 -40.23 88.95 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.883 -1.136 . . . . 0.0 108.556 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 84.2 p -64.17 -45.6 87.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.131 -0.981 . . . . 0.0 109.048 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -91.86 81.17 5.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.15 -0.969 . . . . 0.0 108.836 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -70.27 -25.76 63.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.328 -0.857 . . . . 0.0 110.307 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -61.23 -40.1 92.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.143 -0.973 . . . . 0.0 109.675 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.06 88.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttm -60.93 -44.13 97.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.507 -0.746 . . . . 0.0 109.546 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.8 95.52 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.412 -0.805 . . . . 0.0 109.637 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -67.59 -40.03 84.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.663 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -63.02 -40.1 96.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.169 -0.957 . . . . 0.0 109.846 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.38 4.03 43.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.26 -0.9 . . . . 0.0 110.211 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 53.1 45.53 28.53 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.209 -0.932 . . . . 0.0 110.44 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.4 mt -117.31 150.77 46.98 Favored Pre-proline 0 N--CA 1.503 2.219 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.7 Cg_endo -71.5 150.46 57.68 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 121.372 1.382 . . . . 0.0 111.133 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -41.24 -18.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.183 1.922 . . . . 0.0 112.372 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -59.99 -50.86 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.779 -1.201 . . . . 0.0 110.961 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -68.89 -42.95 82.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 120.953 -1.092 . . . . 0.0 109.329 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.33 99.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.058 -1.026 . . . . 0.0 109.636 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.84 -39.59 89.64 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.148 -0.97 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -60.27 -40.04 88.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.864 -1.148 . . . . 0.0 109.514 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.06 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.92 -39.99 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.458 -0.777 . . . . 0.0 108.923 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.401 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.46 -33.1 73.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.625 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -72.78 -38.9 67.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.7 112.98 10.32 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 109.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.49 -40.27 90.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.453 -0.779 . . . . 0.0 109.96 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.67 -45.47 91.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.333 -0.855 . . . . 0.0 110.465 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -77.58 -34.42 53.61 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.729 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.2 tt0 . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.227 -0.921 . . . . 0.0 110.486 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 55.4 m-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.534 0.683 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.23 -41.7 93.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.765 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.08 -45.18 86.32 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.035 -1.041 . . . . 0.0 109.983 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.91 96.64 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.57 -40.02 83.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.584 -0.951 . . . . 0.0 110.164 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.2 -45.53 92.86 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.047 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.63 -40.45 76.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.032 -1.043 . . . . 0.0 109.066 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.09 74.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.558 -0.713 . . . . 0.0 110.748 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.16 124.37 20.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.098 -1.001 . . . . 0.0 110.007 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -149.55 -163.98 1.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.788 . . . . 0.0 109.467 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -70.99 152.93 43.08 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.333 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 75.1 t60 -64.47 75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 110.08 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 43.3 mt-10 -92.58 -169.78 2.3 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.706 0.765 . . . . 0.0 109.719 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.22 -27.22 65.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.739 -0.6 . . . . 0.0 109.598 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -58.78 -30.75 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.208 -0.932 . . . . 0.0 110.075 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -60.26 -40.08 89.05 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.696 -1.253 . . . . 0.0 108.783 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.6 p -63.12 -39.76 95.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -91.67 83.1 5.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 109.381 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -69.83 -26.82 64.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.05 -1.031 . . . . 0.0 109.672 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -40.59 92.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 0.0 109.562 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.67 97.52 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.189 -0.944 . . . . 0.0 109.534 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.3 ttm -62.44 -46.09 90.11 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.367 -0.833 . . . . 0.0 109.754 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.01 -40.37 96.2 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.272 -0.893 . . . . 0.0 108.988 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.504 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -62.56 -40.32 96.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.052 . . . . 0.0 110.495 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.42 -2.78 26.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.5 m-20 53.69 50.1 17.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.409 -0.807 . . . . 0.0 110.729 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.73 149.54 46.61 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.319 -0.863 . . . . 0.0 109.517 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 51.1 Cg_exo -48.45 140.32 21.36 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.463 1.442 . . . . 0.0 110.99 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.76 -15.74 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.496 1.464 . . . . 0.0 111.599 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 71.4 t -60.09 -50.69 79.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.883 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.37 -45.39 96.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.898 -1.126 . . . . 0.0 109.674 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.64 96.81 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -62.68 -40.25 96.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.975 -1.078 . . . . 0.0 110.144 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.58 -40.14 95.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.861 -1.149 . . . . 0.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.44 -43.69 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.041 -1.037 . . . . 0.0 109.314 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.57 -40.37 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.0 68.71 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.444 0.64 . . . . 0.0 109.696 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -70.68 -39.33 73.59 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.388 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.79 111.59 7.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.066 -1.021 . . . . 0.0 108.57 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -59.85 -40.38 88.37 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.265 -0.897 . . . . 0.0 110.652 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -59.79 -39.24 84.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.033 -1.042 . . . . 0.0 109.852 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -74.24 -34.88 63.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.093 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -178.456 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 64.6 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.287 0.565 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.17 -42.19 94.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.307 -0.871 . . . . 0.0 110.532 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.81 -45.79 88.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.136 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.52 95.94 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.61 -39.47 82.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.486 -1.008 . . . . 0.0 110.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.82 -47.11 87.85 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.954 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.03 -40.28 78.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 109.266 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -37.1 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.352 -0.842 . . . . 0.0 110.637 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.36 125.35 23.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.072 -1.017 . . . . 0.0 109.765 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -151.01 -165.18 2.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.44 -0.787 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 13' ' ' GLU . 45.4 mt-10 -70.16 151.48 45.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.479 -0.763 . . . . 0.0 109.67 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 73.1 t60 -63.71 74.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.025 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' GLU . 44.2 mt-10 -92.08 -168.63 2.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.83 -26.23 64.13 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.291 0.567 . . . . 0.0 109.848 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.22 -31.01 68.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.219 -0.926 . . . . 0.0 109.981 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.69 -39.47 88.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.702 -1.249 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -63.66 -40.17 96.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.038 -1.039 . . . . 0.0 109.359 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -91.46 83.43 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.37 -0.831 . . . . 0.0 109.228 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -70.39 -26.22 63.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.117 -0.989 . . . . 0.0 109.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.49 -40.46 91.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.592 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.7 98.25 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.142 -0.973 . . . . 0.0 109.105 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 43.2 ttm -61.76 -47.25 86.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.551 -0.718 . . . . 0.0 109.243 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.4 -40.51 97.4 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.873 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t -67.58 -40.63 84.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 109.773 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 110.488 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -103.16 -3.89 25.18 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.171 -0.956 . . . . 0.0 110.038 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.72 49.88 18.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.43 -0.794 . . . . 0.0 110.642 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -117.97 149.71 45.95 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.282 -0.886 . . . . 0.0 109.431 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 31' ' ' VAL . 52.0 Cg_exo -47.97 140.02 19.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.23 1.286 . . . . 0.0 111.127 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.89 -15.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.456 1.437 . . . . 0.0 111.534 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' B' ' 29' ' ' PRO . 66.2 t -59.77 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.332 -0.855 . . . . 0.0 110.945 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.8 -45.61 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.892 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 110.1 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.83 -39.8 95.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.972 -1.08 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -62.24 -40.04 94.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.992 -1.068 . . . . 0.0 109.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 HD11 ' B' ' 36' ' ' ILE . 83.9 mt -62.7 -41.61 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.008 -1.058 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.64 -40.12 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.29 70.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.516 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -70.16 -39.32 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.533 -0.73 . . . . 0.0 109.814 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.5 112.7 8.79 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.911 -1.118 . . . . 0.0 108.675 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.456 -0.777 . . . . 0.0 110.944 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -60.73 -39.4 88.5 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.024 -1.047 . . . . 0.0 109.801 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.66 -34.69 65.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 110.158 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 110.564 -178.373 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.97 -40.33 92.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.457 -0.777 . . . . 0.0 110.267 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 23.9 p-10 -65.02 -48.26 74.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.137 -0.977 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' ASP . . . -55.47 -36.75 64.54 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 66.6 mt -65.93 -39.83 85.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.422 -1.046 . . . . 0.0 110.067 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -59.9 -47.25 86.54 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.482 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.49 -40.5 76.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.099 -1.0 . . . . 0.0 109.494 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.67 75.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.72 -0.613 . . . . 0.0 110.053 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.8 tt0 -60.76 141.75 56.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.18 -0.95 . . . . 0.0 109.641 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.96 -176.9 4.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.425 -0.797 . . . . 0.0 109.905 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.33 158.09 12.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 110.081 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 71.6 t60 -77.62 73.75 4.19 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.208 -0.932 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -98.82 -160.86 0.83 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.545 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.37 -26.25 64.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 108.892 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -59.89 -37.95 80.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 108.756 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 0.0 108.851 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.6 p -61.2 -41.92 97.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.056 -1.028 . . . . 0.0 108.814 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -97.79 91.53 5.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.384 -0.823 . . . . 0.0 109.195 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -72.91 -24.74 60.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.115 -0.991 . . . . 0.0 109.874 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.4 -41.94 94.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.3 78.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.09 -41.15 99.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.0 109.9 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.01 96.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.296 -0.877 . . . . 0.0 108.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -69.06 -40.05 78.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.782 . . . . 0.0 109.715 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.26 -40.21 93.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.141 -0.974 . . . . 0.0 110.911 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.16 3.72 43.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.106 -0.996 . . . . 0.0 109.694 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m120 53.18 44.64 29.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.817 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.87 151.63 44.92 Favored Pre-proline 0 N--CA 1.501 2.111 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.27 160.01 51.05 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.734 1.623 . . . . 0.0 110.637 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.07 -19.33 26.23 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.125 1.883 . . . . 0.0 111.614 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.71 -50.76 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.866 -1.146 . . . . 0.0 109.948 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.49 -45.47 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.907 -1.121 . . . . 0.0 109.116 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.16 92.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.552 -0.718 . . . . 0.0 109.709 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.26 -40.04 94.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.045 -1.034 . . . . 0.0 109.833 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.1 tm-20 -61.08 -42.04 97.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.833 -1.167 . . . . 0.0 109.978 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.96 -40.77 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 0.0 108.421 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -40.39 87.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.549 -0.719 . . . . 0.0 109.076 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.99 67.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.55 -0.719 . . . . 0.0 110.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.1 m -71.98 -34.91 69.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 109.803 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -73.93 114.92 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.039 -1.038 . . . . 0.0 109.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.251 -0.906 . . . . 0.0 110.485 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.14 -40.57 90.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 110.125 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -78.52 -29.86 46.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.075 -1.015 . . . . 0.0 109.825 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.457 -0.777 . . . . 0.0 110.013 -178.737 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.397 0.618 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.87 -40.05 91.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 110.163 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 24.4 p-10 -65.64 -47.99 73.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.249 -0.907 . . . . 0.0 110.466 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -55.6 -36.72 65.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' B' ' 9' ' ' GLN . 67.3 mt -65.89 -39.76 85.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.394 -1.063 . . . . 0.0 110.289 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -59.8 -47.78 84.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.152 -0.967 . . . . 0.0 109.44 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.17 -40.9 77.84 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.117 -0.989 . . . . 0.0 109.411 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.84 -36.1 75.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.281 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.0 tt0 -60.97 141.57 57.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 109.531 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.03 -176.74 4.29 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.62 0.724 . . . . 0.0 110.197 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.64 157.18 15.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 110.036 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.4 t60 -76.38 73.1 3.15 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -98.62 -161.1 0.85 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.43 -0.794 . . . . 0.0 109.789 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.26 -26.4 64.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.257 -0.902 . . . . 0.0 109.075 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.46 -38.42 80.73 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.34 -0.85 . . . . 0.0 108.979 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.7 p -61.6 -41.98 98.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.915 -1.116 . . . . 0.0 108.775 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -97.5 90.53 5.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.368 -0.832 . . . . 0.0 109.357 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -71.94 -24.92 61.7 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.994 -1.066 . . . . 0.0 109.905 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -60.62 -41.34 94.64 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.192 -0.942 . . . . 0.0 109.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.72 76.46 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.184 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.9 -40.72 98.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.276 -0.89 . . . . 0.0 109.999 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.18 93.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.7 t -69.82 -40.07 76.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.335 -0.853 . . . . 0.0 109.647 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.91 -40.43 93.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.405 -0.809 . . . . 0.0 110.794 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.24 3.6 43.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.131 -0.98 . . . . 0.0 109.531 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m120 53.51 44.56 29.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 109.646 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 mt -114.03 151.45 44.88 Favored Pre-proline 0 N--CA 1.5 2.046 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.91 160.32 50.1 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.66 1.574 . . . . 0.0 110.617 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.45 -18.85 26.71 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.095 1.863 . . . . 0.0 111.655 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.19 -50.35 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.004 -1.06 . . . . 0.0 109.981 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.68 -45.17 81.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.101 -0.999 . . . . 0.0 108.989 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.34 92.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.514 -0.741 . . . . 0.0 109.923 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.86 -40.22 96.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 109.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.7 tm-20 -60.78 -41.79 96.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.961 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.63 -39.98 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 108.622 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.58 -40.94 90.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.21 68.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.461 -0.775 . . . . 0.0 110.074 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 66.4 m -71.85 -35.17 69.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 0.0 109.804 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -73.31 114.65 11.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 109.029 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.55 -40.53 91.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.419 -0.801 . . . . 0.0 110.304 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.08 -40.13 88.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.069 -1.019 . . . . 0.0 110.32 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -78.59 -30.23 46.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.778 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.341 -0.85 . . . . 0.0 109.853 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.565 0.698 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.89 -40.0 91.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.381 -0.824 . . . . 0.0 110.513 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.27 -39.96 93.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.976 -1.078 . . . . 0.0 110.552 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.73 93.6 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.0 mt -67.93 -40.19 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.588 -0.948 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -61.0 -44.6 97.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.031 -1.043 . . . . 0.0 109.371 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.56 -39.96 77.1 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.119 -0.988 . . . . 0.0 108.507 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.88 67.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.536 -0.727 . . . . 0.0 109.893 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.5 tt0 -61.35 140.12 58.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.0 110.01 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.66 166.93 13.69 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLU . 46.1 mt-10 -51.09 148.99 3.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.088 -1.007 . . . . 0.0 110.224 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.9 t60 -63.59 72.58 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.468 -0.77 . . . . 0.0 109.919 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLU . 99.1 mt-10 -88.85 -167.61 1.93 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.266 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.06 -24.79 63.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.379 -0.826 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.02 -32.22 70.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.293 -0.879 . . . . 0.0 110.148 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -60.04 -39.93 87.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.591 -1.318 . . . . 0.0 109.035 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -61.62 -40.57 95.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.0 108.885 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.59 82.87 4.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.363 -0.836 . . . . 0.0 108.91 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.99 -26.85 64.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 0.0 109.718 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.78 -41.1 94.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 0.0 110.29 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.92 99.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.189 -0.944 . . . . 0.0 109.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 50.1 ttp -65.45 -40.67 93.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.632 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.26 96.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.052 -1.03 . . . . 0.0 109.392 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.4 m -67.85 -40.34 83.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.385 -0.822 . . . . 0.0 110.562 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -61.2 -40.21 93.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 110.011 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -98.27 0.49 45.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.407 -0.808 . . . . 0.0 109.648 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 53.75 47.84 22.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.799 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.41 151.53 48.2 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.82 160.07 51.17 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.551 1.5 . . . . 0.0 110.716 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.15 -17.59 15.45 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.375 2.05 . . . . 0.0 111.907 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -49.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 120.581 -1.324 . . . . 0.0 110.007 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.01 -44.71 81.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.991 -1.068 . . . . 0.0 109.175 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.83 97.64 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.22 -39.87 94.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 0.0 109.636 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 7.1 tm-20 -61.78 -40.73 96.21 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.002 -1.061 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.83 -40.05 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.026 -1.046 . . . . 0.0 108.346 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.09 -39.96 85.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.46 -30.88 69.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.439 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.5 m -72.27 -39.89 68.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.579 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.3 t -75.62 109.78 9.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.978 . . . . 0.0 108.77 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.19 -39.96 88.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.383 -0.823 . . . . 0.0 110.846 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -40.02 89.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 61.1 m -75.94 -32.26 59.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.0 . . . . 0.0 109.857 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.482 HE21 ' HG3' ' B' ' 44' ' ' GLN . 59.6 tt0 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.365 -0.835 . . . . 0.0 110.998 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.541 0.686 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.97 -40.08 92.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.493 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -65.07 -39.97 94.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 110.541 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.86 93.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.2 mt -67.99 -40.07 82.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.714 -0.874 . . . . 0.0 110.258 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.04 -44.79 96.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.01 -1.056 . . . . 0.0 109.339 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.37 -39.99 77.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.192 -0.943 . . . . 0.0 108.492 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.99 -29.91 67.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.533 -0.729 . . . . 0.0 109.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -61.44 140.06 58.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.997 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.64 166.96 13.72 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 13' ' ' GLU . 46.4 mt-10 -51.15 148.64 4.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.116 -0.99 . . . . 0.0 110.226 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.0 t60 -63.27 72.29 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 109.905 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' B' ' 11' ' ' GLU . 99.3 mt-10 -88.42 -167.68 1.96 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.388 -0.82 . . . . 0.0 109.317 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.03 -24.83 63.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.355 -0.841 . . . . 0.0 109.385 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -59.96 -32.34 70.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 110.208 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -59.99 -40.08 87.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.627 -1.295 . . . . 0.0 108.964 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -61.64 -40.31 94.44 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.996 -1.065 . . . . 0.0 108.899 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.55 82.82 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.317 -0.865 . . . . 0.0 108.785 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.96 -26.73 64.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.02 -40.95 95.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.983 . . . . 0.0 110.237 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.14 99.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.945 . . . . 0.0 109.738 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.3 ttp -65.32 -40.62 93.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.325 -0.859 . . . . 0.0 109.545 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.36 96.37 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.947 . . . . 0.0 109.418 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.1 m -67.73 -40.44 84.2 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.624 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -40.33 93.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.149 -0.97 . . . . 0.0 109.981 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -98.3 0.64 45.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.366 -0.834 . . . . 0.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 53.75 47.46 23.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.12 151.36 47.57 Favored Pre-proline 0 N--CA 1.498 1.961 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.85 160.01 51.46 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.609 1.539 . . . . 0.0 110.781 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.09 -17.49 14.86 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.423 2.082 . . . . 0.0 112.042 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -49.9 82.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 120.705 -1.247 . . . . 0.0 110.011 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.36 -44.47 80.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.86 -1.15 . . . . 0.0 109.11 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.56 97.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.345 -0.847 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -64.31 -39.96 94.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.981 -1.074 . . . . 0.0 109.686 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 7.4 tm-20 -61.74 -40.5 95.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 109.904 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.08 -40.02 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.25 -39.88 85.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.534 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.65 -30.88 69.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.579 -0.7 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 70.9 m -72.24 -39.98 68.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.02 -1.05 . . . . 0.0 109.529 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.48 109.82 9.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 108.822 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.913 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.54 -39.97 89.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.0 109.927 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -75.91 -32.36 59.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.905 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 110.977 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 52.2 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.497 0.665 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.52 -42.07 98.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 111.238 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.14 -49.49 77.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.807 -1.183 . . . . 0.0 110.968 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.16 88.16 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.6 mt -68.62 -40.99 82.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.47 -1.018 . . . . 0.0 110.224 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.62 -50.13 73.82 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 109.675 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -68.56 -40.12 80.76 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.204 -0.935 . . . . 0.0 108.829 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.98 76.13 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 0.0 109.924 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 30.5 tt0 -61.29 129.95 43.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.297 -0.877 . . . . 0.0 109.209 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.28 -166.89 2.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.528 -0.733 . . . . 0.0 109.334 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' GLU . 58.1 mp0 -70.58 158.79 35.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 108.817 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 t60 -65.01 70.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.657 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 11' ' ' GLU . 53.7 mt-10 -85.94 -165.67 1.31 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.374 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.08 -25.94 63.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 0.0 109.773 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.82 -35.95 75.79 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 109.324 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -60.5 -40.4 91.24 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.31 -47.52 83.93 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.748 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.92 87.11 5.67 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.307 -0.87 . . . . 0.0 109.02 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -70.9 -29.72 65.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.093 -1.004 . . . . 0.0 110.025 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.57 -40.04 90.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.975 . . . . 0.0 109.561 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.17 87.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.95 . . . . 0.0 109.819 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -63.18 -40.26 97.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.167 -0.958 . . . . 0.0 109.998 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.43 -42.22 98.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.971 -1.08 . . . . 0.0 109.368 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -67.65 -40.01 84.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 109.761 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.73 -40.33 91.99 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.484 -0.76 . . . . 0.0 109.8 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.03 0.72 38.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.381 -0.824 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.5 m120 53.51 45.97 27.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -115.45 153.45 47.65 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.58 159.43 53.56 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.34 1.36 . . . . 0.0 110.643 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.88 -20.64 18.34 Favored 'Trans proline' 0 C--N 1.299 -2.029 0 C-N-CA 122.052 1.835 . . . . 0.0 111.821 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.73 -57.61 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.969 -1.082 . . . . 0.0 109.504 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.65 -48.48 87.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.424 -0.797 . . . . 0.0 109.284 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.48 77.42 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.387 -0.821 . . . . 0.0 109.899 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.3 -40.41 96.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.932 -1.105 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.7 tm-20 -60.49 -40.96 93.24 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.991 -1.068 . . . . 0.0 110.185 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.68 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.774 -1.204 . . . . 0.0 108.727 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.79 -39.39 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -30.2 69.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.391 -0.818 . . . . 0.0 109.936 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.402 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 57.8 m -71.57 -32.9 68.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 109.285 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.36 114.6 12.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -40.28 92.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.901 . . . . 0.0 111.142 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.281 -0.887 . . . . 0.0 109.888 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.444 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 95.9 m -72.27 -31.34 65.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.693 HE21 ' CG ' ' B' ' 44' ' ' GLN . 36.8 tt0 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.468 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.3 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.41 0.624 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.46 -42.83 96.99 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.685 -0.634 . . . . 0.0 111.268 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.76 -49.77 76.15 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.051 . . . . 0.0 111.096 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.09 92.69 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' B' ' 9' ' ' GLN . 65.1 mt -67.0 -42.02 88.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.639 -0.918 . . . . 0.0 110.339 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.74 -50.0 75.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.102 -0.999 . . . . 0.0 109.627 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.71 -39.94 80.23 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.139 -0.976 . . . . 0.0 108.844 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.71 75.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.538 -0.726 . . . . 0.0 110.029 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.1 tt0 -61.19 129.93 43.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.132 -0.98 . . . . 0.0 109.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -151.38 -167.08 2.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 109.507 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 13' ' ' GLU . 56.4 mp0 -70.17 157.46 37.58 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.497 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.8 t60 -64.29 70.01 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.216 -0.927 . . . . 0.0 109.852 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.2 mt-10 -85.49 -166.33 1.48 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 109.434 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.22 -25.63 63.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -59.52 -36.14 75.52 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.203 -0.936 . . . . 0.0 109.208 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -60.68 -40.24 91.42 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.923 -1.111 . . . . 0.0 108.944 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -63.29 -45.25 92.31 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.789 -1.194 . . . . 0.0 108.78 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -94.16 86.18 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -70.92 -29.13 65.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.0 109.785 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.47 -40.01 92.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.216 -0.928 . . . . 0.0 109.624 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.5 93.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.097 -1.002 . . . . 0.0 109.73 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.7 ttp -64.2 -40.19 95.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.878 . . . . 0.0 109.91 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.08 97.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.031 -1.043 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -68.07 -40.2 82.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.434 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.48 -40.82 92.67 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.462 -0.774 . . . . 0.0 110.021 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -101.09 1.22 39.13 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.505 -0.747 . . . . 0.0 110.034 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 52.82 47.54 24.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.139 -0.975 . . . . 0.0 109.818 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 mt -116.52 152.81 48.64 Favored Pre-proline 0 N--CA 1.498 1.967 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.06 158.91 56.03 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.364 1.376 . . . . 0.0 110.636 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.43 -20.69 16.2 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.151 1.901 . . . . 0.0 111.831 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.38 -58.13 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.785 -1.197 . . . . 0.0 109.588 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.45 -48.78 86.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.379 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.74 80.44 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.241 -0.912 . . . . 0.0 109.924 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -63.17 -39.76 95.57 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.905 -1.122 . . . . 0.0 109.729 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.61 -41.26 94.44 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.968 -1.082 . . . . 0.0 110.188 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.67 -40.33 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.914 -1.116 . . . . 0.0 108.57 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -68.05 -39.8 82.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.67 71.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.7 m -71.25 -33.49 69.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.125 -0.984 . . . . 0.0 109.408 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.1 113.97 11.9 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.212 -0.93 . . . . 0.0 108.597 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.6 -40.35 91.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.33 -0.856 . . . . 0.0 110.783 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.33 -39.36 86.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 109.714 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 94.4 m -72.55 -32.76 66.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.113 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.693 ' CG ' HE21 ' A' ' 44' ' ' GLN . 15.1 tt0 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.499 -178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 61.4 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.484 0.659 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.17 -40.32 93.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.529 -0.732 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.13 -47.81 84.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.215 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -36.19 92.51 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.75 -40.55 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.593 -0.945 . . . . 0.0 110.036 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.98 -47.61 85.11 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.95 -1.094 . . . . 0.0 109.521 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -69.97 -40.28 75.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.157 -0.964 . . . . 0.0 109.801 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.22 70.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 0.0 110.036 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.88 136.13 57.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.909 . . . . 0.0 109.605 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.34 169.66 6.21 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.19 170.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.007 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.1 t60 -74.53 67.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 122.006 0.908 . . . . 0.0 109.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -71.76 173.17 8.56 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.53 -23.97 65.5 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.076 -1.015 . . . . 0.0 108.704 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -59.09 -27.18 65.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.032 -1.043 . . . . 0.0 109.707 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.88 -39.9 86.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 108.882 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.2 p -61.87 -40.24 94.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.864 -1.147 . . . . 0.0 109.177 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.07 83.17 4.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.255 -0.903 . . . . 0.0 109.599 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -71.56 -27.08 62.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.291 -0.881 . . . . 0.0 111.008 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -60.25 -40.43 90.26 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.928 -1.107 . . . . 0.0 110.216 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.81 89.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.11 -0.994 . . . . 0.0 109.171 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.56 -46.22 91.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.424 -0.798 . . . . 0.0 109.625 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.26 97.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.179 -0.951 . . . . 0.0 109.561 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -68.11 -40.31 82.57 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.5 -0.75 . . . . 0.0 110.157 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -40.02 95.49 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.157 -0.965 . . . . 0.0 110.329 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.0 1.7 36.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.208 -0.933 . . . . 0.0 110.237 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 54.01 49.32 19.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.033 -1.042 . . . . 0.0 109.064 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -119.3 151.18 50.77 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.4 Cg_endo -68.72 149.69 73.54 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.652 1.568 . . . . 0.0 111.624 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -41.83 -21.77 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.195 1.93 . . . . 0.0 112.696 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -60.02 -50.09 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 111.028 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.31 -45.0 86.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.471 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.3 94.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.208 -0.932 . . . . 0.0 110.355 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.31 -40.07 93.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.954 -1.091 . . . . 0.0 110.091 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.58 -40.9 93.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.038 . . . . 0.0 109.795 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.33 -40.16 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.1 -1.0 . . . . 0.0 108.609 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.18 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.665 -0.647 . . . . 0.0 110.323 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -74.69 -32.34 62.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.064 . . . . 0.0 110.15 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -75.74 113.2 12.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.952 -1.093 . . . . 0.0 108.923 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -61.01 -39.5 89.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.295 -0.878 . . . . 0.0 110.339 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.45 -39.52 87.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.038 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 73.2 m -74.36 -32.42 62.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.893 -1.129 . . . . 0.0 109.746 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.508 HE21 ' CG ' ' B' ' 44' ' ' GLN . 40.9 tt0 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.929 . . . . 0.0 110.436 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 58.9 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.424 0.631 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.34 -40.46 90.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.453 -0.78 . . . . 0.0 110.139 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.01 -49.01 79.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.997 . . . . 0.0 110.163 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.19 -36.13 89.81 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.46 -40.35 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.34 -1.094 . . . . 0.0 110.414 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.05 -47.49 85.63 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.828 -1.17 . . . . 0.0 109.197 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.76 -40.39 76.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.126 -0.984 . . . . 0.0 109.931 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.39 68.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.316 -0.865 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.92 137.09 58.17 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.322 -0.861 . . . . 0.0 109.635 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -172.74 170.03 4.78 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -48.98 171.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.965 -1.085 . . . . 0.0 110.079 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.0 t60 -74.47 67.7 1.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.891 0.853 . . . . 0.0 109.192 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -71.91 173.1 8.78 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.63 -23.56 65.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.043 -1.036 . . . . 0.0 108.644 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -58.71 -27.98 65.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.119 -0.988 . . . . 0.0 109.809 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.64 -40.26 87.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.8 -1.188 . . . . 0.0 108.822 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.3 p -61.47 -40.25 93.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.887 -1.133 . . . . 0.0 109.017 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.74 83.09 3.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.077 -1.015 . . . . 0.0 109.766 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -70.94 -27.54 63.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 111.084 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.67 -40.05 90.65 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.76 -1.212 . . . . 0.0 110.306 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.06 89.42 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 108.78 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.2 ttm -60.74 -45.82 92.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.971 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.08 98.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -0.949 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -68.59 -39.97 80.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.567 -0.708 . . . . 0.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.31 -40.26 95.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.24 -0.913 . . . . 0.0 110.367 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.78 1.58 37.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 54.61 47.03 23.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.93 -1.106 . . . . 0.0 109.304 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -117.47 150.8 47.26 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.3 Cg_endo -69.21 149.23 70.18 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.678 1.585 . . . . 0.0 111.803 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -40.92 -21.69 0.11 Allowed 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 122.112 1.875 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.6 -50.51 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.939 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.67 -44.86 85.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.524 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.59 95.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.043 -1.036 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -66.14 -39.97 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.915 -1.115 . . . . 0.0 109.982 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.4 tm-20 -60.89 -40.26 92.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 109.554 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.64 -39.98 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.817 -1.177 . . . . 0.0 108.531 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.34 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.13 66.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.699 -0.625 . . . . 0.0 110.352 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 56.0 m -73.87 -32.68 63.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.058 -1.026 . . . . 0.0 110.17 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.27 113.17 12.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 0.0 108.891 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.89 -39.88 90.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.85 . . . . 0.0 110.383 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.77 -39.92 86.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.933 . . . . 0.0 110.224 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 71.7 m -74.27 -32.93 63.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.508 ' CG ' HE21 ' A' ' 44' ' ' GLN . 15.5 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 0.0 110.428 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 56.4 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.344 0.592 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.51 -40.3 90.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.737 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 -53.3 52.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.0 110.69 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.74 -34.65 83.19 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.08 -39.93 82.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.997 . . . . 0.0 110.017 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.06 -46.8 88.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 0.0 109.533 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.77 -40.11 79.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.026 -1.046 . . . . 0.0 108.881 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.37 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.626 -0.671 . . . . 0.0 109.751 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -60.86 136.97 58.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.35 -0.843 . . . . 0.0 109.255 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.92 -169.57 0.9 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.341 -0.849 . . . . 0.0 108.909 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 44.5 tt0 -63.62 149.95 45.29 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 109.884 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 67.8 t60 -64.93 77.11 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 109.596 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.4 mm-40 -88.61 -166.46 1.6 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.492 -0.755 . . . . 0.0 109.693 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.67 64.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.497 -0.752 . . . . 0.0 109.265 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -58.81 -34.16 71.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 109.458 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.885 -1.134 . . . . 0.0 109.206 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.63 -41.83 98.22 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.017 -1.052 . . . . 0.0 108.707 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.26 86.48 4.94 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -70.06 -28.68 65.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 0.0 110.16 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.36 -40.12 93.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.891 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.09 78.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.42 -41.6 98.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 109.616 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -66.54 -40.11 88.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.149 -0.97 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.78 -39.81 76.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.437 -0.79 . . . . 0.0 109.468 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.96 -41.29 91.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.361 -0.837 . . . . 0.0 109.45 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -99.78 -4.09 31.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.333 -0.855 . . . . 0.0 108.759 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 53.38 50.11 18.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.594 -0.691 . . . . 0.0 110.598 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.5 mt -116.08 147.05 38.47 Favored Pre-proline 0 N--CA 1.502 2.173 0 O-C-N 121.36 -0.837 . . . . 0.0 108.844 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.97 156.19 0.5 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.247 1.298 . . . . 0.0 110.931 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.42 -18.77 47.94 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.893 1.729 . . . . 0.0 110.779 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.98 -50.22 80.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 110.469 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.97 -49.94 79.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.771 -1.205 . . . . 0.0 108.739 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.87 82.49 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.448 -0.782 . . . . 0.0 109.683 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.64 -40.05 90.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.337 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -59.95 -44.48 94.37 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 109.744 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.71 -46.62 96.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.215 -0.928 . . . . 0.0 108.862 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.3 t -65.62 -40.01 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.185 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.46 73.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.443 -0.786 . . . . 0.0 110.235 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.9 m -78.34 -26.16 46.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.061 -1.024 . . . . 0.0 109.852 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.46 116.9 12.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.98 -40.04 87.78 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.456 -0.778 . . . . 0.0 110.749 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.03 -39.14 84.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.094 -1.004 . . . . 0.0 109.208 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.35 -28.38 56.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 110.553 -178.09 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.2 m-85 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.4 0.619 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.63 -40.17 90.96 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.387 -0.821 . . . . 0.0 110.795 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -64.09 -52.97 56.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 110.624 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -34.76 84.39 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.892 -1.683 . . . . 0.0 108.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 58.1 mt -68.05 -39.96 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.652 -0.911 . . . . 0.0 109.973 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.01 -46.72 88.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 109.581 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.0 -40.17 78.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.015 -1.053 . . . . 0.0 108.784 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.38 77.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.605 -0.685 . . . . 0.0 109.734 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.0 tt0 -60.73 137.01 58.23 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 109.327 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.91 -169.69 0.91 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 108.838 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 13' ' ' GLU . 44.5 tt0 -63.65 150.0 45.25 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.529 -0.732 . . . . 0.0 109.856 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 67.1 t60 -65.05 77.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.728 . . . . 0.0 109.601 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.9 mm-40 -88.57 -166.29 1.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' B' ' 17' ' ' SER . 99.0 mttt -70.0 -26.61 64.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.469 -0.77 . . . . 0.0 109.256 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -58.9 -34.16 71.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 93.8 p -63.52 -41.75 98.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.062 -1.024 . . . . 0.0 108.82 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.38 86.4 4.87 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -69.97 -28.74 65.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.41 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.89 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.04 79.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.221 -0.925 . . . . 0.0 109.726 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.53 -40.0 88.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.121 -0.987 . . . . 0.0 109.321 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.99 -39.88 75.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.38 -0.825 . . . . 0.0 109.486 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -99.74 -4.08 31.44 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.5 m-20 53.38 49.85 18.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -115.79 146.98 38.06 Favored Pre-proline 0 N--CA 1.502 2.174 0 O-C-N 121.385 -0.822 . . . . 0.0 108.934 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -45.87 156.0 0.5 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.375 1.383 . . . . 0.0 110.909 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.35 -18.88 47.97 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 121.915 1.744 . . . . 0.0 110.847 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.97 -50.33 80.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.482 -0.761 . . . . 0.0 110.486 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.7 -50.03 79.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.724 -1.235 . . . . 0.0 108.687 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.96 82.29 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.73 -39.91 90.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 0.0 109.224 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.01 -44.47 94.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.6 -46.58 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.117 -0.989 . . . . 0.0 108.969 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.194 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.3 73.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.276 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -78.4 -26.25 46.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.077 -1.014 . . . . 0.0 109.871 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.48 116.97 12.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 108.422 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.03 -40.08 88.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.445 -0.784 . . . . 0.0 110.931 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -59.99 -39.05 84.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -76.34 -28.7 56.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 0.0 109.483 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.676 -178.125 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.216 0.531 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 90.4 mt -64.79 -40.8 95.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.975 . . . . 0.0 110.63 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.54 -40.35 92.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.928 -1.108 . . . . 0.0 109.986 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.48 -36.83 93.06 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.49 -40.13 83.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.417 -1.049 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.85 84.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.981 -1.075 . . . . 0.0 110.343 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.3 -40.18 77.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.086 . . . . 0.0 109.443 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.45 74.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.492 -0.755 . . . . 0.0 109.441 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.7 138.36 58.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.372 -0.83 . . . . 0.0 109.432 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 40.9 tt0 -169.98 164.33 9.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 108.836 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' GLU . 85.2 mt-10 -40.22 160.19 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.45 -0.781 . . . . 0.0 110.75 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.6 t60 -74.4 72.47 1.84 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.85 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -84.88 -172.59 4.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.565 -0.709 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -67.77 -28.28 67.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -57.69 -32.06 66.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.0 109.121 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -60.06 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 109.386 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -60.39 -40.71 91.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.921 -1.112 . . . . 0.0 109.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -99.75 92.38 5.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.346 -0.846 . . . . 0.0 109.634 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -73.46 -27.78 61.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.002 . . . . 0.0 109.988 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.04 -41.03 91.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.057 -1.027 . . . . 0.0 110.004 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.87 94.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.998 . . . . 0.0 109.132 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.59 -40.52 95.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.846 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.57 96.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.846 -1.158 . . . . 0.0 109.546 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -68.29 -40.09 81.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.11 -40.47 89.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 110.372 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -101.27 0.05 36.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.186 -0.946 . . . . 0.0 109.857 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 54.51 39.97 31.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.344 -0.848 . . . . 0.0 110.359 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.6 mt -106.89 150.74 40.13 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.6 Cg_endo -69.24 149.3 70.06 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 121.35 1.367 . . . . 0.0 111.308 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.27 -23.28 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.176 1.918 . . . . 0.0 112.423 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 92.4 t -57.11 -57.16 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.68 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.79 -44.37 98.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.081 -1.012 . . . . 0.0 109.047 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.61 -48.62 80.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.299 -0.876 . . . . 0.0 109.761 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.87 -39.97 93.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 110.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.27 -40.09 92.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.939 -1.1 . . . . 0.0 109.526 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.93 -40.0 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.8 -40.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.93 68.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -72.02 -38.13 69.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.75 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.66 113.27 11.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 108.925 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.71 -40.03 90.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.267 -0.895 . . . . 0.0 110.695 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -60.97 -39.99 91.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.287 -0.883 . . . . 0.0 110.685 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.53 -33.42 60.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.95 -1.094 . . . . 0.0 110.091 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.698 HE21 ' CG ' ' B' ' 44' ' ' GLN . 50.3 tt0 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.49 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.221 0.534 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . 0.448 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 90.4 mt -64.62 -40.8 96.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.921 . . . . 0.0 110.712 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.49 -40.22 92.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.899 -1.126 . . . . 0.0 110.031 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -36.92 92.99 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.26 -40.22 84.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.402 -1.058 . . . . 0.0 110.183 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.8 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.082 . . . . 0.0 110.307 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.43 -40.18 77.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.961 -1.087 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.5 74.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.479 -0.763 . . . . 0.0 109.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.58 138.43 58.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 109.437 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -170.0 164.47 9.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.419 -0.801 . . . . 0.0 108.908 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -40.33 160.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -74.28 72.2 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.468 -0.77 . . . . 0.0 109.85 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -84.59 -172.58 4.25 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.486 -0.759 . . . . 0.0 109.704 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -67.79 -28.3 67.48 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -57.69 -32.05 66.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.126 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.98 -40.19 88.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.998 -1.064 . . . . 0.0 109.336 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -60.25 -40.75 91.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.937 -1.102 . . . . 0.0 109.165 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -99.9 92.45 5.29 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.391 -0.818 . . . . 0.0 109.514 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -73.5 -27.62 61.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.059 -1.025 . . . . 0.0 110.02 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.07 . . . . 0.0 110.061 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.96 94.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.019 -1.051 . . . . 0.0 109.171 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.53 -40.58 95.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.731 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.879 -1.138 . . . . 0.0 109.587 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -68.41 -40.06 81.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.417 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.18 -40.35 89.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.437 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -101.43 0.27 36.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.269 -0.895 . . . . 0.0 109.77 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.43 40.02 31.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.438 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -107.0 150.79 40.25 Favored Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.0 Cg_endo -69.31 149.31 69.58 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 121.339 1.36 . . . . 0.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.2 -23.41 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.164 1.91 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 94.8 t -57.06 -57.16 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.962 . . . . 0.0 110.741 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.78 -44.44 98.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.087 -1.008 . . . . 0.0 109.077 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.52 80.53 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 0.0 109.785 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.9 -40.02 93.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 110.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.17 -40.13 92.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.042 -1.036 . . . . 0.0 109.586 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.99 -39.93 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.77 -40.0 87.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.09 68.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.593 -0.692 . . . . 0.0 109.684 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -71.81 -38.17 70.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.833 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -74.66 113.19 11.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.67 -40.09 90.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.215 -0.928 . . . . 0.0 110.599 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.95 -40.0 91.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 110.675 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -75.56 -33.5 60.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 110.007 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.698 ' CG ' HE21 ' A' ' 44' ' ' GLN . 11.6 tt0 . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.195 -0.94 . . . . 0.0 110.48 -178.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.493 0.664 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.54 -39.98 93.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.542 -0.724 . . . . 0.0 110.437 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.42 -40.76 93.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.023 -1.048 . . . . 0.0 110.224 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.96 96.07 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 5' ' ' ILE . 81.0 mt -66.31 -40.11 85.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.691 -0.888 . . . . 0.0 110.331 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.02 -42.19 93.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.33 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.68 -40.0 76.64 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.89 -1.132 . . . . 0.0 108.661 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.66 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.369 0.604 . . . . 0.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.98 136.11 57.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 0.0 109.971 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 20.4 tt0 -158.66 -151.27 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 10' ' ' GLU . 52.6 mt-10 -80.93 157.94 25.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.111 -0.993 . . . . 0.0 109.704 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -78.29 72.88 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 108.884 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.34 -149.41 0.37 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.478 -0.764 . . . . 0.0 109.848 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' OG ' ' A' ' 17' ' ' SER . 9.9 mtpm? -69.98 -32.77 71.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.456 -0.778 . . . . 0.0 109.838 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -60.07 -39.53 86.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.789 -1.195 . . . . 0.0 109.212 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.582 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 94.9 p -60.53 -42.79 97.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.856 -1.153 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.582 ' N ' ' HG ' ' A' ' 17' ' ' SER . 22.5 m120 -96.11 88.59 4.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.153 -0.967 . . . . 0.0 109.4 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -69.95 -28.84 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.962 -1.086 . . . . 0.0 109.416 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.5 -40.36 91.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.98 . . . . 0.0 109.547 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.54 -43.84 96.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.386 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.67 98.9 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.34 -0.85 . . . . 0.0 109.198 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -40.1 80.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 109.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.88 -40.28 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.357 -0.839 . . . . 0.0 110.491 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.45 -0.63 34.92 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 56.36 41.44 29.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.534 -0.729 . . . . 0.0 110.049 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -113.27 151.04 43.98 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.1 Cg_endo -69.67 150.11 68.3 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.605 1.536 . . . . 0.0 111.841 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.25 -21.15 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.404 2.069 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -60.03 -50.01 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 111.157 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.51 -40.44 79.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.783 -1.198 . . . . 0.0 109.781 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.921 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -61.23 -38.79 87.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.098 -1.001 . . . . 0.0 110.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 11.2 tm-20 -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 109.681 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.88 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.864 -1.148 . . . . 0.0 108.516 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.33 -40.06 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.71 77.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 109.464 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.43 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 67.8 m -72.0 -39.58 69.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.214 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.3 t -75.71 106.72 7.43 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -59.92 -39.73 86.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.482 -0.761 . . . . 0.0 110.463 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -59.94 -40.05 87.66 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.26 -0.9 . . . . 0.0 109.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.5 m -75.03 -36.94 61.87 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.768 -1.207 . . . . 0.0 109.812 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.625 HE21 ' CG ' ' B' ' 44' ' ' GLN . 59.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 0.0 110.576 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.586 0.708 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.73 -40.05 93.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.43 -0.794 . . . . 0.0 110.415 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.4 -40.97 94.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.254 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.35 -39.24 95.88 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -39.98 85.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.662 -0.905 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -59.99 -42.25 93.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.036 -1.04 . . . . 0.0 110.324 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 -40.0 76.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.843 -1.16 . . . . 0.0 108.647 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.79 75.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 110.289 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.86 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.328 -0.857 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' B' ' 11' ' ' GLU . 20.8 tt0 -158.97 -151.06 0.26 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' B' ' 10' ' ' GLU . 51.9 mt-10 -80.88 158.24 25.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.022 -1.049 . . . . 0.0 109.697 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -78.59 72.6 5.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 108.883 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 10.7 tt0 -100.29 -149.4 0.37 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.462 -0.774 . . . . 0.0 109.866 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 10.0 mtpm? -70.05 -32.74 70.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.428 -0.795 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -60.03 -39.76 87.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -60.0 -40.04 87.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.823 -1.173 . . . . 0.0 109.209 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 90.9 p -60.28 -42.68 95.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.841 -1.162 . . . . 0.0 109.199 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.614 ' N ' ' HG ' ' B' ' 17' ' ' SER . 22.2 m120 -96.31 88.77 4.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.128 -0.983 . . . . 0.0 109.282 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -70.06 -28.58 65.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.956 -1.09 . . . . 0.0 109.393 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -60.77 -40.19 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.98 94.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -60.55 -43.9 96.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.442 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.75 98.85 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 109.247 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.67 -39.94 80.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.01 -40.6 94.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.538 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.01 -0.78 35.85 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.341 -0.85 . . . . 0.0 110.184 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 56.48 41.45 28.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.955 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.24 150.9 43.77 Favored Pre-proline 0 N--CA 1.501 2.09 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.0 Cg_endo -69.6 150.23 68.9 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.657 1.571 . . . . 0.0 111.819 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -41.35 -21.06 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.279 1.986 . . . . 0.0 112.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.01 -50.03 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 111.207 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.48 -40.71 80.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 120.824 -1.172 . . . . 0.0 109.675 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.02 89.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -61.25 -38.62 87.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.085 -1.009 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 11.1 tm-20 -60.06 -41.51 92.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.892 -1.13 . . . . 0.0 109.576 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.83 -40.07 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.27 -39.96 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.487 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.62 -37.89 77.0 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.669 -0.645 . . . . 0.0 109.513 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 68.0 m -71.78 -39.66 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.194 -0.941 . . . . 0.0 109.252 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -75.69 106.84 7.47 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -60.05 -39.78 87.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.542 -0.724 . . . . 0.0 110.422 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 109.781 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.0 m -74.99 -37.06 61.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.778 -1.201 . . . . 0.0 109.819 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.625 ' CG ' HE21 ' A' ' 44' ' ' GLN . 7.3 tt0 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.595 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.597 0.713 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.44 -42.32 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.965 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 1.1 p30 -60.82 -47.77 84.86 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.179 -0.95 . . . . 0.0 110.573 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.99 -39.44 94.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.0 -39.82 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.713 -0.875 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 35.7 t0 -60.27 -48.11 83.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.278 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.12 -40.02 82.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.357 -0.839 . . . . 0.0 109.072 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.27 67.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.536 -0.727 . . . . 0.0 110.073 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.11 140.04 57.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.117 -0.99 . . . . 0.0 109.098 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -168.53 160.22 10.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 108.995 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -46.28 162.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.96 . . . . 0.0 109.898 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -74.95 79.6 2.17 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.729 . . . . 0.0 109.625 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.33 -160.17 0.78 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.566 -0.709 . . . . 0.0 109.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.86 -27.91 65.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 109.495 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.92 -38.43 82.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 109.394 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -60.23 -39.81 88.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.727 -1.233 . . . . 0.0 109.066 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -63.82 -41.09 97.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.822 -1.174 . . . . 0.0 109.171 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -96.06 83.31 3.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.003 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -70.13 -27.96 64.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.183 -0.948 . . . . 0.0 109.877 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.47 -40.58 91.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.996 -1.065 . . . . 0.0 109.813 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.37 97.02 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.147 -0.971 . . . . 0.0 109.819 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.9 ttp -60.91 -41.3 95.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.0 109.74 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.48 95.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.349 -0.844 . . . . 0.0 109.721 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -67.98 -39.81 83.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.868 . . . . 0.0 110.362 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.73 -39.76 89.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.897 . . . . 0.0 109.892 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -100.71 2.35 41.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.636 -0.665 . . . . 0.0 109.615 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 51.75 46.19 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.76 150.37 43.26 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' VAL . 44.1 Cg_endo -69.3 149.74 70.18 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.631 1.554 . . . . 0.0 111.218 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.86 -17.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.065 1.844 . . . . 0.0 112.602 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.6 t -60.29 -50.42 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.896 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.5 -42.52 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 120.824 -1.172 . . . . 0.0 109.079 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.93 95.51 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.616 -0.677 . . . . 0.0 109.647 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.55 -40.57 97.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.33 -40.35 93.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.982 -1.074 . . . . 0.0 109.219 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.43 -41.03 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 108.257 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.36 -40.26 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.476 -0.765 . . . . 0.0 109.076 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.51 68.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.391 -0.818 . . . . 0.0 109.744 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.3 m -72.96 -39.95 65.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 t -75.52 116.06 15.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.999 -1.063 . . . . 0.0 109.174 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -60.59 -40.12 90.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.142 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -60.66 -41.0 94.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 110.286 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 m -77.86 -28.66 50.1 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.148 -0.97 . . . . 0.0 109.976 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.215 -0.928 . . . . 0.0 110.574 -178.308 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.521 0.677 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.6 -42.3 96.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.066 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 1.2 p30 -60.61 -48.76 80.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 110.537 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.57 -39.14 92.83 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.412 HG22 HD11 ' B' ' 5' ' ' ILE . 74.0 mt -66.18 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.583 -0.951 . . . . 0.0 110.156 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -60.65 -46.56 89.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.21 -0.931 . . . . 0.0 109.346 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.91 -40.28 79.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.01 67.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.744 -0.597 . . . . 0.0 110.155 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.0 tt0 -60.04 138.82 57.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 109.149 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -167.47 160.9 13.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.482 -0.761 . . . . 0.0 109.19 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -46.81 162.09 0.05 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.273 -0.892 . . . . 0.0 109.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.75 78.32 2.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.478 -0.764 . . . . 0.0 109.869 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.45 -160.52 0.8 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.458 -0.776 . . . . 0.0 110.079 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -69.48 -27.9 65.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.19 -38.23 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.359 -0.838 . . . . 0.0 109.333 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -59.95 -39.92 87.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.867 -1.145 . . . . 0.0 109.024 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -64.55 -40.59 95.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.976 -1.077 . . . . 0.0 109.061 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -96.33 83.33 3.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -70.0 -28.66 65.69 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.96 . . . . 0.0 109.83 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.59 -40.2 90.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.174 -0.954 . . . . 0.0 109.764 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.06 97.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.769 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.2 ttp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 109.821 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.86 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.42 -0.8 . . . . 0.0 109.903 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -68.15 -40.19 82.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.409 -0.807 . . . . 0.0 110.254 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -60.85 -40.05 91.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -99.65 1.78 43.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.389 -0.819 . . . . 0.0 109.401 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 52.64 46.92 25.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -114.85 149.92 43.23 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.6 Cg_endo -68.71 149.61 73.53 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.589 1.526 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.15 -17.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.963 1.775 . . . . 0.0 112.476 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.1 t -60.23 -50.24 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.866 -1.146 . . . . 0.0 110.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.83 -42.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.004 -1.06 . . . . 0.0 108.798 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.69 92.84 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.57 -0.706 . . . . 0.0 109.715 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.66 -39.97 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.989 -1.069 . . . . 0.0 109.822 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.7 tm-20 -61.2 -40.52 94.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.884 -1.135 . . . . 0.0 109.128 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 36' ' ' ILE . 94.5 mt -61.52 -40.8 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.985 -1.072 . . . . 0.0 108.463 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.42 -39.9 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.449 -0.782 . . . . 0.0 109.208 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.42 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.6 -30.47 68.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.445 -0.785 . . . . 0.0 109.713 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.412 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 59.9 m -72.37 -39.97 67.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 0.0 110.195 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.8 t -76.25 115.6 16.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.061 -1.025 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.22 -40.36 89.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -0.787 . . . . 0.0 110.476 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.3 -40.58 91.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.9 m -78.63 -29.06 45.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.041 -1.037 . . . . 0.0 110.061 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 21.7 tt0 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.346 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.566 0.698 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.77 -40.42 92.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.614 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.24 -51.45 60.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.269 -0.895 . . . . 0.0 110.732 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.98 67.49 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.681 -1.767 . . . . 0.0 108.681 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -69.33 -40.3 79.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.536 -0.979 . . . . 0.0 109.423 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.97 -48.63 80.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.95 . . . . 0.0 109.898 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -66.8 -40.75 88.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.025 -1.047 . . . . 0.0 108.964 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.69 73.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.221 -0.924 . . . . 0.0 109.791 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.5 tt0 -62.96 125.23 23.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 110.159 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -151.47 -165.39 2.23 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' GLU . 74.4 mm-40 -74.41 157.8 35.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 78.4 t60 -65.04 69.78 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.987 -1.071 . . . . 0.0 110.018 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 11' ' ' GLU . 22.3 tt0 -79.82 -179.92 7.2 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' H ' ' CG ' ' A' ' 13' ' ' GLU . 62.6 mttm -64.17 -26.21 68.42 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.051 -1.031 . . . . 0.0 109.325 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -59.92 -29.86 68.66 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.879 -1.138 . . . . 0.0 109.192 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.83 -37.48 79.31 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.1 p -59.75 -46.61 88.62 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.984 -1.073 . . . . 0.0 108.502 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -94.05 87.55 5.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 108.776 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -69.77 -26.2 64.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.109 -0.994 . . . . 0.0 109.519 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.47 -40.26 90.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 109.868 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.99 92.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.5 ttm -60.49 -45.09 95.06 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.174 -0.954 . . . . 0.0 109.151 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.44 99.23 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.398 -0.814 . . . . 0.0 109.359 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.3 t -68.47 -40.32 81.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.131 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.56 -40.05 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.424 -0.798 . . . . 0.0 110.133 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -101.84 3.05 38.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.454 -0.778 . . . . 0.0 109.706 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m120 55.37 42.68 29.9 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.299 -0.876 . . . . 0.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -112.77 150.36 42.64 Favored Pre-proline 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -68.93 147.74 68.85 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.771 1.648 . . . . 0.0 111.801 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 -20.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 122.362 2.041 . . . . 0.0 112.315 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -59.76 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.451 -0.78 . . . . 0.0 110.695 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.86 -42.55 85.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.0 92.91 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.785 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.27 -39.95 92.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.58 -44.0 96.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.088 -1.007 . . . . 0.0 109.571 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.34 -40.17 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.63 -39.91 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.645 ' HA ' HE21 ' A' ' 44' ' ' GLN . . . -64.53 -39.89 94.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.639 -0.663 . . . . 0.0 110.293 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -71.65 -38.89 70.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.03 -1.044 . . . . 0.0 109.571 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -75.67 102.87 5.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.985 -1.072 . . . . 0.0 108.642 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -60.81 -39.29 88.41 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.84 -0.538 . . . . 0.0 110.595 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.213 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.72 -61.51 1.81 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 110.826 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.645 HE21 ' HA ' ' A' ' 38' ' ' ALA . 11.3 tt0 . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 111.47 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.559 0.695 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -40.07 94.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.09 -51.12 63.26 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.51 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.66 73.51 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 108.521 -1.831 . . . . 0.0 108.521 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.2 mt -69.03 -40.09 80.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 O-C-N 121.696 -0.885 . . . . 0.0 109.735 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -49.28 78.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.122 -0.986 . . . . 0.0 109.452 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -65.89 -41.6 91.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.882 . . . . 0.0 109.015 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -35.7 73.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.749 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 7.5 tt0 -63.54 126.07 26.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.052 -1.03 . . . . 0.0 109.591 -178.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -152.04 -166.5 2.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.466 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 13' ' ' GLU . 73.2 mm-40 -73.1 156.77 38.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.853 . . . . 0.0 109.008 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.4 t60 -64.94 70.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.708 -1.245 . . . . 0.0 109.96 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' B' ' 11' ' ' GLU . 19.7 tt0 -80.05 -179.47 7.04 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.491 ' H ' ' CG ' ' B' ' 13' ' ' GLU . 60.7 mttm -64.55 -26.15 68.29 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.954 . . . . 0.0 109.307 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.16 -29.2 68.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.038 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.807 -1.183 . . . . 0.0 108.439 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -59.46 -47.3 86.03 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.946 -1.096 . . . . 0.0 108.725 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -93.84 88.06 5.63 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.048 -1.033 . . . . 0.0 108.823 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -70.0 -25.76 63.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 109.427 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.84 -39.81 90.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.91 91.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.986 -1.071 . . . . 0.0 109.097 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.39 -45.72 92.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 108.953 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.619 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -68.44 -40.42 81.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.495 -0.753 . . . . 0.0 110.353 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.92 -39.93 91.27 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.357 -0.839 . . . . 0.0 110.246 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -101.76 3.65 39.72 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.498 -0.752 . . . . 0.0 109.745 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m120 54.72 43.0 30.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.3 mt -113.13 150.36 42.84 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.87 148.17 63.78 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.371 1.381 . . . . 0.0 111.679 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -39.82 -20.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.374 2.049 . . . . 0.0 112.296 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.3 t -59.58 -50.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.165 -0.96 . . . . 0.0 110.807 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.77 -42.8 86.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.939 -1.101 . . . . 0.0 109.285 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.35 94.18 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.118 -0.989 . . . . 0.0 109.649 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.09 -39.81 91.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.98 -1.075 . . . . 0.0 110.135 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.67 -43.59 97.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.005 -1.059 . . . . 0.0 109.936 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.777 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.26 -39.89 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.72 93.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.667 -0.646 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -71.15 -39.57 71.86 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.667 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.7 103.05 5.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.096 -1.002 . . . . 0.0 108.452 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.825 -0.547 . . . . 0.0 110.668 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -58.74 -34.97 71.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.906 -1.121 . . . . 0.0 109.154 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.82 -61.9 1.68 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.17 -0.956 . . . . 0.0 110.92 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 52.2 tt0 . . . . . 0 N--CA 1.497 1.909 0 O-C-N 121.089 -1.007 . . . . 0.0 111.678 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.08 -39.47 86.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 110.379 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.79 -42.21 99.6 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.506 -0.746 . . . . 0.0 110.713 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.78 96.64 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.95 -40.57 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.888 . . . . 0.0 110.593 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.24 -47.65 85.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 0.0 109.712 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -68.62 -40.1 80.5 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.239 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.44 82.17 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.588 -0.695 . . . . 0.0 110.653 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -64.65 136.27 56.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.989 -1.069 . . . . 0.0 109.991 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -162.11 -173.81 3.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.58 149.71 38.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -67.55 81.96 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.019 0.914 . . . . 0.0 108.799 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -97.06 -162.63 0.97 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.706 . . . . 0.0 109.217 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -68.11 -30.07 69.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.942 -1.099 . . . . 0.0 108.712 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -59.77 -35.16 74.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.597 -0.689 . . . . 0.0 110.029 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -60.57 -40.39 91.48 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.109 -0.994 . . . . 0.0 109.023 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -97.85 90.18 4.85 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -69.71 -28.64 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.707 -1.246 . . . . 0.0 109.026 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.18 -40.22 93.11 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.505 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.92 99.11 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.57 -1.331 . . . . 0.0 109.664 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.14 -40.23 95.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.847 -1.158 . . . . 0.0 109.623 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.25 98.35 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.184 -0.948 . . . . 0.0 109.404 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.03 -39.75 75.57 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.701 -0.625 . . . . 0.0 110.208 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -61.49 -39.85 92.45 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.12 -0.987 . . . . 0.0 109.66 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -99.6 1.31 43.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.538 -0.726 . . . . 0.0 109.69 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 52.64 48.89 21.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.621 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.1 mt -117.85 150.2 46.69 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.8 Cg_endo -70.14 149.07 63.95 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.544 1.496 . . . . 0.0 111.117 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -41.87 -21.04 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.045 1.83 . . . . 0.0 113.016 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.6 t -59.63 -50.61 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.543 -1.348 . . . . 0.0 110.363 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.06 -40.99 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.039 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.65 98.0 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.974 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -61.91 -39.87 93.49 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.121 -0.987 . . . . 0.0 109.891 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 15.2 tm-20 -59.88 -40.53 89.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.857 -1.152 . . . . 0.0 110.009 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.91 -40.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.46 -39.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.55 79.32 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.45 -0.781 . . . . 0.0 108.945 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.409 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 54.5 m -72.5 -40.1 67.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.066 -1.021 . . . . 0.0 109.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 t -74.12 111.56 9.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.385 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.62 -40.13 93.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.076 -1.015 . . . . 0.0 110.251 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -59.62 -39.8 85.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.395 -0.815 . . . . 0.0 109.753 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -75.75 -33.5 60.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.008 -1.057 . . . . 0.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.585 HE21 ' HG3' ' B' ' 44' ' ' GLN . 59.2 tt0 . . . . . 0 N--CA 1.494 1.771 0 O-C-N 120.678 -1.264 . . . . 0.0 110.68 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.32 -39.93 92.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.557 -0.715 . . . . 0.0 110.175 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.71 -44.25 96.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.549 -0.72 . . . . 0.0 110.109 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.76 97.54 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.85 -39.57 85.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.428 -1.042 . . . . 0.0 110.523 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.72 -49.92 75.87 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.258 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.19 -39.93 86.46 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.082 -1.011 . . . . 0.0 109.138 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.26 80.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.91 136.6 57.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.657 -1.277 . . . . 0.0 109.451 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -161.99 -172.97 3.46 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 35.7 tt0 -63.44 148.09 49.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.27 -0.894 . . . . 0.0 109.194 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -65.38 79.4 0.06 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.294 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 68.2 mt-10 -94.39 -161.66 0.87 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.575 -0.703 . . . . 0.0 109.126 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -68.82 -30.03 68.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.51 -0.744 . . . . 0.0 109.439 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -59.77 -35.18 74.09 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.426 -0.796 . . . . 0.0 109.764 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -60.16 -40.45 89.93 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.084 -1.01 . . . . 0.0 109.026 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -61.16 -40.88 95.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.451 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -97.74 88.84 4.42 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -69.51 -28.5 66.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.71 -39.75 89.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.712 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.3 98.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.863 -1.148 . . . . 0.0 109.684 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.3 ttp -64.32 -40.88 96.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.578 0.704 . . . . 0.0 109.36 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.0 -41.21 97.81 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.086 -1.009 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -68.55 -39.85 80.9 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.395 -0.816 . . . . 0.0 109.79 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.89 -40.03 94.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.688 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -99.69 0.52 42.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.462 -0.774 . . . . 0.0 109.501 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 23' ' ' ALA . 99.2 m-20 53.41 46.74 25.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.597 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -116.56 151.6 47.26 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.7 Cg_endo -71.24 149.38 57.41 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 121.165 1.244 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -41.91 -19.95 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 121.902 1.735 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.4 t -59.86 -50.61 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.598 -1.314 . . . . 0.0 110.71 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.44 -41.14 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 119.329 -0.948 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.68 98.11 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.506 -0.746 . . . . 0.0 110.147 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -61.37 -40.24 93.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.951 -1.093 . . . . 0.0 109.686 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.4 tm-20 -60.21 -41.03 92.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.761 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.62 -40.26 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.578 -1.327 . . . . 0.0 107.999 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.79 -39.89 87.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.66 -38.89 84.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.694 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.417 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 45.8 m -70.04 -39.92 75.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.033 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.52 109.91 7.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.966 -1.084 . . . . 0.0 109.094 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -60.41 -40.32 90.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 110.465 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.14 -37.59 80.55 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.03 -34.81 43.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.215 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.585 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 120.772 -1.205 . . . . 0.0 110.002 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.05 -40.34 76.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.646 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.43 -44.03 97.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.094 -1.004 . . . . 0.0 109.114 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.38 91.47 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 64.8 mt -65.44 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.52 -0.988 . . . . 0.0 109.61 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.01 -42.22 93.84 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.066 -1.022 . . . . 0.0 109.113 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.99 -41.58 74.21 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.95 67.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.523 -0.736 . . . . 0.0 110.432 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -60.07 139.76 57.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.931 . . . . 0.0 109.199 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -167.48 161.11 13.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.809 . . . . 0.0 109.419 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' GLU . 34.6 tt0 -43.86 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.792 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.5 t60 -69.08 73.05 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.523 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' GLU . 98.5 mt-10 -82.93 -176.57 6.39 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.644 -0.66 . . . . 0.0 109.343 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -67.35 -28.7 68.18 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -57.54 -29.53 64.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.513 -0.742 . . . . 0.0 109.218 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.03 -39.69 86.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 108.683 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -59.97 -41.65 92.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.117 -0.99 . . . . 0.0 109.024 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.18 91.6 4.83 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.293 -0.879 . . . . 0.0 109.008 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -71.19 -23.62 62.07 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.104 -0.997 . . . . 0.0 109.82 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -60.23 -40.32 89.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.45 85.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 109.672 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.5 ttp -63.62 -42.32 98.2 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.98 89.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.153 -0.967 . . . . 0.0 109.131 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -69.15 -39.95 78.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.364 -0.835 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.31 -40.07 89.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -99.74 2.4 44.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.385 -0.822 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 52.36 45.18 28.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.395 -0.816 . . . . 0.0 109.964 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.3 152.73 47.18 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.73 160.05 51.17 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 121.555 1.503 . . . . 0.0 110.443 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' LYS . 13.6 Cg_endo -55.96 -17.57 19.58 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.308 2.006 . . . . 0.0 111.821 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.8 -50.0 81.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.729 -1.232 . . . . 0.0 109.904 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -69.49 -43.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.031 -1.043 . . . . 0.0 109.15 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.16 86.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.349 -0.844 . . . . 0.0 110.043 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' PRO . 63.8 mmtt -61.7 -39.78 92.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.976 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -59.96 -40.39 88.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.12 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 36' ' ' ILE . 96.7 mt -64.75 -39.99 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 108.534 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.14 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.79 85.09 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.768 -0.582 . . . . 0.0 110.4 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -70.18 -38.55 75.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.084 -1.01 . . . . 0.0 109.747 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 t -75.11 104.09 5.54 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.047 -1.033 . . . . 0.0 108.472 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.05 -37.9 81.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.48 -0.762 . . . . 0.0 110.63 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.281 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.3 -56.15 7.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.927 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.498 HE22 ' CD ' ' B' ' 44' ' ' GLN . 12.0 tt0 . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.359 -0.838 . . . . 0.0 110.787 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.95 -40.4 88.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.308 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.98 . . . . 0.0 109.184 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -35.54 91.52 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.18 -38.7 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.546 -0.973 . . . . 0.0 109.6 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.96 -42.21 93.6 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.036 -1.04 . . . . 0.0 109.148 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.89 -41.8 74.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 108.963 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.2 67.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.573 -0.704 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.96 139.52 57.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.935 . . . . 0.0 109.32 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -167.24 161.21 14.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.487 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 13' ' ' GLU . 34.2 tt0 -43.8 158.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.494 -0.753 . . . . 0.0 109.805 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 77.4 t60 -68.93 73.12 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.561 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 11' ' ' GLU . 98.5 mt-10 -83.06 -176.49 6.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.532 -0.73 . . . . 0.0 109.318 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.42 -28.57 68.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.165 -0.959 . . . . 0.0 108.576 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -57.67 -29.49 64.67 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.532 -0.73 . . . . 0.0 109.204 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.99 -39.82 87.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 108.741 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -60.01 -41.44 92.12 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.138 -0.976 . . . . 0.0 108.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.25 91.7 4.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.913 . . . . 0.0 108.982 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -71.35 -23.13 61.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -60.63 -40.25 91.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.016 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.64 85.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.139 -0.976 . . . . 0.0 109.501 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -63.29 -42.47 99.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.354 -0.841 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.3 -40.11 89.79 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.062 -1.024 . . . . 0.0 109.056 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -68.77 -40.05 79.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.384 -0.823 . . . . 0.0 109.395 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.72 2.58 44.39 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.351 -0.843 . . . . 0.0 109.839 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 94.5 m-20 52.22 45.19 28.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.264 -0.898 . . . . 0.0 109.817 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -115.35 152.75 47.25 Favored Pre-proline 0 N--CA 1.498 1.943 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.8 160.02 51.24 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 121.543 1.496 . . . . 0.0 110.528 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 34' ' ' LYS . 14.1 Cg_endo -55.84 -17.45 18.53 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.258 1.972 . . . . 0.0 111.939 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -49.96 81.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.676 -1.265 . . . . 0.0 109.841 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.54 -43.59 80.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.163 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.08 86.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.351 -0.843 . . . . 0.0 110.016 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' PRO . 63.7 mmtt -61.77 -39.73 92.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.026 -1.046 . . . . 0.0 109.996 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.9 -40.5 89.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.885 -1.134 . . . . 0.0 109.101 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.66 -39.98 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.085 -1.009 . . . . 0.0 108.536 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.24 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.78 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.654 . . . . 0.0 110.323 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.7 m -70.32 -38.6 74.94 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.005 -1.06 . . . . 0.0 109.743 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -74.94 104.14 5.42 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.958 -1.089 . . . . 0.0 108.471 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.99 -38.06 81.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.437 -0.79 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -59.51 -39.12 82.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.328 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.47 -56.26 7.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 109.838 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.498 ' CD ' HE22 ' A' ' 44' ' ' GLN . 52.6 tt0 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.296 -0.877 . . . . 0.0 110.774 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.559 0.695 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -40.02 95.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.455 -0.778 . . . . 0.0 109.921 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.11 -47.78 84.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.2 94.21 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.5 mt -65.74 -40.01 86.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.616 -0.932 . . . . 0.0 110.796 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.96 -49.76 76.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.88 -1.138 . . . . 0.0 109.365 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.53 -40.01 85.05 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.302 -0.874 . . . . 0.0 109.071 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.23 73.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -60.92 138.41 58.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 109.668 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 71.3 tt0 -170.53 165.24 8.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.569 -0.707 . . . . 0.0 109.264 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 10' ' ' GLU . 73.5 mm-40 -44.18 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.369 -0.832 . . . . 0.0 110.015 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -69.31 77.35 0.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.751 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.99 171.01 15.66 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.64 -0.662 . . . . 0.0 109.265 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.88 -27.57 68.31 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -57.93 -26.5 62.31 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.474 -0.766 . . . . 0.0 109.04 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -59.96 -40.12 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 108.652 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -63.17 -42.93 99.48 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.69 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.35 83.88 3.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.835 . . . . 0.0 108.875 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.443 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 60.4 p-90 -70.06 -26.97 64.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.733 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 56.5 mtt-85 -60.05 -40.83 90.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.971 -1.081 . . . . 0.0 109.661 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.03 79.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.0 109.273 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.9 ttp -62.54 -42.01 99.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.37 -0.831 . . . . 0.0 109.796 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.08 -1.012 . . . . 0.0 109.074 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.15 -40.02 78.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.453 -0.779 . . . . 0.0 109.533 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.2 -41.37 92.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.457 -0.777 . . . . 0.0 110.222 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.16 3.43 43.8 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.337 -0.852 . . . . 0.0 109.751 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.75 39.87 31.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 110.276 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.73 149.99 40.68 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.3 160.47 49.7 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.859 1.706 . . . . 0.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.55 -19.71 18.8 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.502 2.135 . . . . 0.0 111.866 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.76 -51.7 69.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.934 -1.104 . . . . 0.0 110.083 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.85 -43.63 82.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.135 -0.978 . . . . 0.0 108.883 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.72 95.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.372 -0.83 . . . . 0.0 109.813 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.69 -40.01 95.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.967 -1.083 . . . . 0.0 110.076 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.88 -41.8 96.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 109.984 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.26 -39.97 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 108.836 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.15 -39.91 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.35 83.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.661 -0.649 . . . . 0.0 110.615 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -70.99 -34.46 71.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.98 -1.075 . . . . 0.0 109.793 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.6 104.34 5.25 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.958 -1.089 . . . . 0.0 108.429 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.97 -39.15 84.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.563 -0.71 . . . . 0.0 110.368 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -59.91 -38.62 82.83 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.19 -0.944 . . . . 0.0 109.409 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -71.37 -50.03 36.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.069 . . . . 0.0 110.209 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' B' ' 44' ' ' GLN . 12.1 tt0 . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.553 0.692 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.81 -39.98 93.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.437 -0.789 . . . . 0.0 109.956 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.14 -47.8 84.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.905 . . . . 0.0 110.094 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.26 94.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.84 -39.98 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.566 -0.961 . . . . 0.0 110.668 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.93 -49.82 76.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.412 -0.805 . . . . 0.0 109.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.05 72.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.568 -0.708 . . . . 0.0 109.844 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.96 138.44 58.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 0.0 109.651 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 11' ' ' GLU . 71.7 tt0 -170.58 165.16 8.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.479 -0.763 . . . . 0.0 109.31 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 10' ' ' GLU . 73.8 mm-40 -44.17 166.57 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.275 -0.891 . . . . 0.0 109.899 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -69.2 77.3 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.963 . . . . 0.0 109.738 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.04 170.91 15.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.65 -0.657 . . . . 0.0 109.279 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.76 -27.79 68.56 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -57.78 -26.41 61.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.435 -0.791 . . . . 0.0 109.062 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.02 -40.25 88.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.088 . . . . 0.0 108.618 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -62.96 -43.07 99.8 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.219 -0.926 . . . . 0.0 108.657 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.34 83.85 3.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 108.89 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . 0.449 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 60.5 p-90 -69.99 -27.03 64.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.082 -1.011 . . . . 0.0 109.753 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.449 ' NH1' ' CH2' ' B' ' 19' ' ' TRP . 56.0 mtt-85 -60.03 -40.86 90.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.026 . . . . 0.0 109.664 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.89 79.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.051 -1.03 . . . . 0.0 109.269 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.61 -42.0 99.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 0.0 109.791 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.81 98.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 109.141 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.19 -40.05 78.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.865 . . . . 0.0 110.418 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.05 3.33 44.05 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 109.868 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.77 40.06 31.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.526 -0.733 . . . . 0.0 110.232 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.3 mt -110.12 149.99 40.86 Favored Pre-proline 0 N--CA 1.499 1.99 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.17 160.43 49.89 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 121.9 1.733 . . . . 0.0 110.958 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 34' ' ' LYS . 12.6 Cg_endo -54.59 -19.68 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.488 2.126 . . . . 0.0 111.831 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.61 -51.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.021 -1.049 . . . . 0.0 110.176 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.72 -43.75 82.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.835 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.72 95.45 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.365 -0.834 . . . . 0.0 109.77 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' B' ' 30' ' ' PRO . 26.3 mmtp -63.81 -39.94 95.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.049 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.93 -41.61 96.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 110.003 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.34 -39.98 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 108.841 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.17 -39.99 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.46 83.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -71.0 -34.5 71.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.958 -1.089 . . . . 0.0 109.808 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -74.61 104.35 5.26 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.047 -1.033 . . . . 0.0 108.447 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.95 -39.16 84.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.599 -0.688 . . . . 0.0 110.411 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -59.86 -38.82 83.23 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.469 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.3 -49.91 37.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 110.172 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 44' ' ' GLN . 53.6 tt0 . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.35 -0.844 . . . . 0.0 109.995 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.501 0.667 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.4 -39.97 94.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.638 -0.664 . . . . 0.0 110.448 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.21 -40.68 96.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.22 -33.06 62.19 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.02 -39.83 85.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.623 -0.928 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.97 -40.87 90.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.85 -40.03 83.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.875 -1.141 . . . . 0.0 108.611 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -21.81 63.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.643 -0.66 . . . . 0.0 109.739 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.554 ' NE2' ' N ' ' A' ' 10' ' ' GLU . 3.3 tm0? -60.95 138.24 58.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 109.284 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' N ' ' NE2' ' A' ' 9' ' ' GLN . 34.5 tt0 -170.06 165.37 9.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 9.5 tp10 -57.54 145.08 34.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.634 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -57.09 78.98 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.566 -0.709 . . . . 0.0 109.855 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 4.6 tt0 -101.06 -153.97 0.47 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.425 -0.797 . . . . 0.0 109.415 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 27.8 mtmm -69.97 -31.13 68.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.195 -0.941 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -60.05 -39.77 87.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.666 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.01 -40.11 88.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.987 -1.071 . . . . 0.0 109.6 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.5 p -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.862 -1.149 . . . . 0.0 109.168 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -99.83 94.48 6.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.359 -0.838 . . . . 0.0 109.719 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -74.36 -25.33 59.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.36 -41.01 98.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.978 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.3 ttp -65.54 -40.07 92.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.484 -0.76 . . . . 0.0 109.888 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.67 95.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.047 -1.033 . . . . 0.0 108.919 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.96 75.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.434 -0.791 . . . . 0.0 110.072 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -61.13 -39.98 92.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 0.0 110.035 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -98.7 0.9 45.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.218 -0.926 . . . . 0.0 109.294 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 54.87 41.53 31.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.597 -0.689 . . . . 0.0 109.651 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.13 151.56 43.16 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.62 160.07 51.12 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.815 1.676 . . . . 0.0 111.082 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.48 -18.34 14.75 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.299 1.999 . . . . 0.0 111.412 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.97 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 110.71 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.4 -44.16 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.14 99.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.48 -0.763 . . . . 0.0 109.613 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -62.3 -40.01 94.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.05 . . . . 0.0 109.853 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -41.6 92.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.039 . . . . 0.0 110.138 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.3 -40.06 87.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.963 -1.086 . . . . 0.0 108.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.0 -39.92 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.04 71.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.468 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.65 -40.06 69.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.223 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -75.49 110.45 9.88 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 108.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -60.42 -40.05 89.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 110.62 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 110.115 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -75.98 -33.43 59.75 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.076 . . . . 0.0 109.743 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.648 HE21 ' HG3' ' B' ' 44' ' ' GLN . 60.9 tt0 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.272 -0.892 . . . . 0.0 110.851 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.547 0.689 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -62.38 -39.95 94.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.474 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.17 -40.61 96.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.37 -32.86 61.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.17 -39.76 85.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.726 -0.867 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 110.064 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.87 -39.98 83.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.869 -1.145 . . . . 0.0 108.623 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.51 -21.8 63.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.673 -0.642 . . . . 0.0 109.83 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' B' ' 10' ' ' GLU . 3.2 tm0? -61.08 138.13 58.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 109.335 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.57 ' N ' ' NE2' ' B' ' 9' ' ' GLN . 34.3 tt0 -169.95 165.32 9.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.588 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' GLU . 9.5 tp10 -57.36 145.07 33.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.1 79.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.467 -0.771 . . . . 0.0 109.745 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' B' ' 11' ' ' GLU . 4.6 tt0 -101.22 -153.89 0.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -0.81 . . . . 0.0 109.411 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 27.7 mtmm -69.94 -31.12 68.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.248 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -59.94 -39.96 87.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.959 -1.088 . . . . 0.0 109.627 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -63.19 -44.73 94.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.869 -1.145 . . . . 0.0 109.142 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -99.72 94.46 6.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 109.614 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -74.51 -25.13 59.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.956 . . . . 0.0 110.096 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.52 -40.84 98.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.078 -1.014 . . . . 0.0 110.017 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.66 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 0.0 109.116 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.5 ttp -65.54 -40.03 92.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.499 -0.75 . . . . 0.0 109.932 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.71 95.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.953 -1.092 . . . . 0.0 108.926 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.91 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.456 -0.777 . . . . 0.0 110.13 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -61.21 -39.9 91.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.328 -0.858 . . . . 0.0 110.008 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.8 0.86 45.23 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.195 -0.941 . . . . 0.0 109.207 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.02 41.44 31.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.615 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.07 151.48 43.07 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.44 160.15 50.91 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.833 1.689 . . . . 0.0 111.171 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.54 -18.29 14.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.337 2.025 . . . . 0.0 111.406 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.99 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.09 -1.006 . . . . 0.0 110.739 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.46 -44.28 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.955 -1.09 . . . . 0.0 108.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.16 99.42 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.461 -0.774 . . . . 0.0 109.642 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -62.14 -39.98 94.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.078 -1.014 . . . . 0.0 109.933 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 110.059 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.4 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.991 -1.068 . . . . 0.0 108.395 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.05 -39.97 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.2 -32.12 71.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.493 -0.754 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.62 -40.06 70.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.34 110.44 9.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.187 -0.945 . . . . 0.0 108.985 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.5 -39.92 89.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.358 -0.839 . . . . 0.0 110.589 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.4 m -76.0 -33.31 59.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.911 -1.118 . . . . 0.0 109.813 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.648 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.1 tt0 . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 110.767 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.725 0.774 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.53 -40.64 97.42 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.427 -0.795 . . . . 0.0 110.317 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -63.14 -42.43 99.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 110.203 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.98 95.16 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.8 mt -64.39 -41.3 91.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.576 -0.955 . . . . 0.0 109.967 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -59.52 -47.21 86.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.935 -1.103 . . . . 0.0 110.074 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -68.49 -40.74 80.82 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.848 -1.158 . . . . 0.0 109.501 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.49 68.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.452 -0.78 . . . . 0.0 110.15 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.7 tt0 -62.67 138.04 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.919 -1.113 . . . . 0.0 109.504 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -161.33 -173.76 3.98 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.97 157.11 25.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.023 . . . . 0.0 110.176 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 62.8 t60 -71.87 79.54 0.89 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.995 -1.066 . . . . 0.0 108.916 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -100.35 -160.83 0.82 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.71 . . . . 0.0 109.816 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' O ' ' OG ' ' A' ' 17' ' ' SER . 63.5 mttp -70.48 -26.36 63.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.913 . . . . 0.0 109.738 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -60.75 -35.9 77.56 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 108.946 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -60.2 -39.74 87.61 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.626 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 76.7 p -60.34 -47.97 83.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.781 -1.199 . . . . 0.0 109.167 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -93.79 86.15 5.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.141 -0.975 . . . . 0.0 109.357 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -70.12 -25.78 63.65 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.169 -0.957 . . . . 0.0 109.693 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.12 -40.83 95.26 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.442 -0.786 . . . . 0.0 110.067 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.93 97.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.327 -0.858 . . . . 0.0 108.834 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -65.73 -40.17 91.91 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.92 98.45 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 109.278 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -69.17 -40.34 78.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.124 -0.985 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.7 -39.67 92.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 110.272 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.22 -0.15 39.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.173 -0.955 . . . . 0.0 109.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 54.63 46.24 25.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -0.813 . . . . 0.0 110.46 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 mt -114.31 152.07 45.65 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 158.5 56.28 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.946 1.764 . . . . 0.0 110.337 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.61 -21.63 14.98 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.082 1.855 . . . . 0.0 111.511 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -56.51 -54.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.886 -1.134 . . . . 0.0 109.824 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.94 -44.82 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.121 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.38 83.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.792 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.73 -38.33 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.652 -1.28 . . . . 0.0 110.541 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.65 -39.73 92.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.749 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.44 -39.69 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.77 -39.92 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.09 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.28 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.676 -0.64 . . . . 0.0 109.283 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -70.54 -37.74 74.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.106 -0.996 . . . . 0.0 109.031 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 t -73.97 109.6 7.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.132 -0.98 . . . . 0.0 108.926 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.09 -38.96 84.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.269 -0.894 . . . . 0.0 109.355 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -58.93 -39.97 83.18 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.998 -1.064 . . . . 0.0 110.19 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -80.11 -31.08 39.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.047 -1.033 . . . . 0.0 110.838 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.841 . . . . 0.0 111.666 -177.637 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.545 0.688 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.46 -40.92 96.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.521 -0.737 . . . . 0.0 110.196 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.52 -43.86 95.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.477 -0.764 . . . . 0.0 109.996 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -37.81 95.26 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.24 -40.04 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.767 -0.843 . . . . 0.0 110.495 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -60.02 -46.41 89.6 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.855 -1.153 . . . . 0.0 109.885 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.33 -40.83 77.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.774 -1.204 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.23 72.07 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.297 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.54 137.9 58.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.956 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -161.27 -176.26 5.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -62.86 154.89 28.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.01 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' B' ' 12' ' ' HIS . 65.0 t60 -69.62 79.4 0.42 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.512 -0.743 . . . . 0.0 109.32 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -100.31 -162.63 0.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.638 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.14 -26.81 65.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.467 -0.77 . . . . 0.0 109.543 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.27 -39.97 88.71 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.242 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -61.79 -46.85 87.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.225 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -93.55 85.97 5.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -70.27 -26.85 64.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.889 -1.132 . . . . 0.0 109.761 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.09 -41.25 92.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.937 -1.102 . . . . 0.0 110.36 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.7 91.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.19 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.57 -41.14 89.02 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.65 -0.656 . . . . 0.0 109.739 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.46 96.74 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.358 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -68.79 -40.27 79.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.15 -40.48 96.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.901 -1.124 . . . . 0.0 110.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.08 -0.48 41.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.334 -0.854 . . . . 0.0 109.798 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 54.48 45.59 26.71 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.545 -0.722 . . . . 0.0 109.973 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.48 151.35 44.38 Favored Pre-proline 0 N--CA 1.499 1.982 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.85 158.12 57.92 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.83 1.687 . . . . 0.0 110.683 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.4 -21.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 121.907 1.738 . . . . 0.0 111.467 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.54 -53.29 46.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.824 -1.173 . . . . 0.0 110.178 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.73 -44.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 109.194 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.7 84.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.511 -0.743 . . . . 0.0 109.986 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -62.08 -39.7 93.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.583 -1.323 . . . . 0.0 110.189 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.4 -39.94 92.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.832 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.411 HG22 HD11 ' B' ' 36' ' ' ILE . 97.0 mt -61.73 -39.68 84.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.879 -1.138 . . . . 0.0 108.23 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.23 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.271 -0.893 . . . . 0.0 108.872 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.94 69.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.392 -0.817 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -36.87 69.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.114 -0.992 . . . . 0.0 108.957 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 24.5 t -75.35 109.48 8.91 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.265 -0.897 . . . . 0.0 109.016 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.68 -38.28 81.11 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.691 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -59.29 -40.28 85.67 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.062 -1.024 . . . . 0.0 110.263 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.06 -31.13 39.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.032 -1.042 . . . . 0.0 110.821 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 N--CA 1.495 1.787 0 O-C-N 121.007 -1.058 . . . . 0.0 111.987 -177.309 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.214 0.53 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.24 -41.54 96.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.19 -40.67 96.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.381 -0.824 . . . . 0.0 109.899 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.49 -36.1 92.69 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.65 -39.69 82.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -1.094 . . . . 0.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.35 -42.55 91.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.82 -1.175 . . . . 0.0 110.279 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.31 -41.05 73.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 109.483 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.88 62.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.756 -0.59 . . . . 0.0 110.899 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.3 140.29 58.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 109.445 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.61 -175.72 3.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.117 -0.989 . . . . 0.0 109.424 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.79 154.91 41.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.171 -0.956 . . . . 0.0 109.82 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.75 72.78 0.55 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.535 -0.728 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -102.17 -149.71 0.39 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.573 -0.705 . . . . 0.0 109.861 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 17' ' ' SER . 66.4 mttm -70.27 -32.56 70.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.471 -0.768 . . . . 0.0 109.852 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 109.699 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.686 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 83.7 p -60.32 -44.86 95.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.148 -0.97 . . . . 0.0 109.64 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.686 ' N ' ' HG ' ' A' ' 17' ' ' SER . 96.2 m-20 -98.01 100.37 11.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.289 -0.882 . . . . 0.0 108.759 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.467 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 55.7 p-90 -77.25 -24.86 51.09 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.387 -0.821 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 58.7 mtt-85 -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.407 -0.808 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.54 97.38 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.069 -1.053 . . . . 0.0 108.706 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.2 ttm -62.5 -44.16 97.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.324 -0.86 . . . . 0.0 109.898 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.79 -44.98 94.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -67.33 -40.07 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.597 -0.689 . . . . 0.0 109.882 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.4 -40.59 94.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.212 -0.93 . . . . 0.0 109.852 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -100.59 1.93 41.27 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.489 -0.757 . . . . 0.0 110.136 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.1 m-20 55.02 43.64 29.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.509 -0.744 . . . . 0.0 110.185 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -116.92 150.71 46.36 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.1 162.12 36.99 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.892 1.728 . . . . 0.0 110.778 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.05 -20.74 24.55 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.689 2.26 . . . . 0.0 112.623 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.01 -48.63 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.686 -1.259 . . . . 0.0 110.751 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.62 -44.54 82.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.878 -1.139 . . . . 0.0 109.204 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.26 94.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -63.03 -39.47 94.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.167 -0.958 . . . . 0.0 109.747 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.49 -40.15 90.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.851 -1.156 . . . . 0.0 109.339 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 36' ' ' ILE . 82.2 mt -62.04 -40.05 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.905 -1.122 . . . . 0.0 108.744 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.81 -40.06 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.185 -0.947 . . . . 0.0 108.539 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.51 80.37 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.599 -0.688 . . . . 0.0 109.609 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -72.56 -38.85 67.84 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.316 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.76 114.21 15.27 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.45 -39.75 88.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.0 110.585 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.42 -41.15 93.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.908 -1.12 . . . . 0.0 110.156 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.56 -29.88 37.03 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.279 -0.888 . . . . 0.0 110.309 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 N--CA 1.497 1.894 0 O-C-N 121.238 -0.914 . . . . 0.0 110.951 -177.539 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.44 -40.9 98.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.359 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.18 -41.37 97.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.377 -0.827 . . . . 0.0 109.858 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.81 91.73 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.94 -39.76 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -1.039 . . . . 0.0 110.375 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.38 -41.8 90.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.883 -1.136 . . . . 0.0 110.687 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -70.62 -39.95 73.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.832 -1.168 . . . . 0.0 109.369 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -25.62 61.66 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.7 -0.625 . . . . 0.0 110.59 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.95 139.88 58.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.043 -1.036 . . . . 0.0 109.859 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -165.02 -175.93 3.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.872 . . . . 0.0 109.291 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.81 154.15 42.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 110.254 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.84 71.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.451 -0.781 . . . . 0.0 109.269 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' B' ' 14' ' ' LYS . 3.7 tp10 -100.82 -149.66 0.38 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.566 0.698 . . . . 0.0 110.152 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 64.2 mttm -69.91 -32.82 71.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.708 . . . . 0.0 109.959 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -60.3 -39.7 87.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.336 -0.853 . . . . 0.0 109.967 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -60.44 -40.22 90.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.992 -1.067 . . . . 0.0 109.655 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.73 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 79.8 p -60.06 -45.33 93.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.162 -0.961 . . . . 0.0 109.289 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.73 ' N ' ' HG ' ' B' ' 17' ' ' SER . 96.2 m-20 -97.13 99.39 10.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.361 -0.837 . . . . 0.0 109.166 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . 0.404 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 54.0 p-90 -76.58 -25.23 53.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.0 mtt-85 -60.62 -40.39 91.75 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.94 97.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.029 -1.044 . . . . 0.0 109.009 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -62.46 -43.79 97.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 110.121 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.48 -44.66 93.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.06 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.6 t -67.58 -40.18 84.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.635 -0.666 . . . . 0.0 109.716 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -61.39 -40.29 93.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.357 -0.839 . . . . 0.0 109.467 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -100.8 0.92 39.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.453 -0.779 . . . . 0.0 110.241 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 56.37 42.36 27.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.355 -0.841 . . . . 0.0 110.405 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.3 mt -116.28 151.42 46.77 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.46 162.09 38.17 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 121.627 1.551 . . . . 0.0 111.036 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.49 -19.41 22.83 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.554 2.169 . . . . 0.0 112.46 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -49.88 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.712 -1.243 . . . . 0.0 110.615 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.74 -45.78 87.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 120.99 -1.069 . . . . 0.0 109.396 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.93 96.77 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.854 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.41 -39.5 94.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.886 -1.134 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.78 -40.05 91.11 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.723 -1.236 . . . . 0.0 109.695 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 36' ' ' ILE . 83.6 mt -61.73 -40.49 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.796 -1.19 . . . . 0.0 108.739 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.68 -40.89 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -66.17 -37.16 84.97 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.532 -0.73 . . . . 0.0 109.419 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -70.18 -39.12 75.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.429 -0.794 . . . . 0.0 110.125 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.6 114.37 15.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.994 -1.066 . . . . 0.0 108.732 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.51 -40.03 89.92 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.377 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.17 -41.77 93.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.798 -1.189 . . . . 0.0 110.298 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -79.82 -28.89 40.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.0 110.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 32.2 tt0 . . . . . 0 N--CA 1.499 1.984 0 O-C-N 121.104 -0.997 . . . . 0.0 111.103 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 121.828 0.823 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.82 -40.5 97.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 110.953 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.77 -39.94 91.53 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.171 -0.956 . . . . 0.0 111.424 -178.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.56 -34.93 90.44 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.841 -1.704 . . . . 0.0 108.841 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.97 -40.05 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 121.376 -1.073 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.33 -178.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.451 -1.406 . . . . 0.0 108.904 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.31 78.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.723 -0.611 . . . . 0.0 110.199 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -65.65 127.31 31.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.308 -0.87 . . . . 0.0 110.194 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -147.3 -165.04 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.331 -0.855 . . . . 0.0 109.047 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 13' ' ' GLU . 67.1 mm-40 -69.83 153.78 42.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 109.351 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 70.1 t60 -64.71 71.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 109.676 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' GLU . 86.5 mt-10 -94.05 -162.14 0.91 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.365 -0.834 . . . . 0.0 109.368 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 17' ' ' SER . 67.9 mttm -69.89 -25.61 63.78 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.547 -0.721 . . . . 0.0 109.822 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.88 -36.6 77.28 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.28 -40.67 86.86 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.592 -1.318 . . . . 0.0 109.106 179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 78.3 p -62.56 -42.63 99.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.882 -1.136 . . . . 0.0 108.844 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.434 ' H ' ' HG ' ' A' ' 17' ' ' SER . 28.5 m120 -92.4 84.05 5.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.947 -1.096 . . . . 0.0 108.734 179.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -71.39 -24.17 62.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 0.0 109.757 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -61.75 -40.39 94.95 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.579 -1.326 . . . . 0.0 109.76 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.49 94.24 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.0 ttm -61.74 -47.07 86.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.33 -0.856 . . . . 0.0 109.268 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.078 -1.014 . . . . 0.0 109.535 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -69.11 -40.26 78.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.38 -0.825 . . . . 0.0 110.12 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.73 -40.85 93.87 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.279 -0.888 . . . . 0.0 109.981 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -102.89 1.82 34.43 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 0.0 110.47 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.0 m-20 53.06 47.42 24.6 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 110.434 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -118.02 152.04 49.79 Favored Pre-proline 0 N--CA 1.501 2.092 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.73 161.63 42.92 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.513 1.475 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.9 -20.45 13.25 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 122.736 2.291 . . . . 0.0 112.048 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -50.63 79.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.075 -1.016 . . . . 0.0 111.174 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.81 -42.55 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.479 -1.388 . . . . 0.0 109.032 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.28 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 109.678 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -62.25 -40.19 95.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.876 -1.14 . . . . 0.0 109.668 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.4 tm-20 -61.21 -40.57 94.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.05 . . . . 0.0 109.633 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.49 -40.5 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.865 -1.147 . . . . 0.0 108.773 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.94 -40.0 87.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.88 -28.4 65.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.531 -0.731 . . . . 0.0 110.1 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.411 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 47.1 m -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.018 -1.051 . . . . 0.0 109.322 -179.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 t -71.74 113.32 8.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 109.408 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.33 -40.05 89.25 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.08 -1.013 . . . . 0.0 110.128 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.29 -39.64 87.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.41 -0.806 . . . . 0.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 60.8 m -78.09 -35.73 49.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.035 -1.041 . . . . 0.0 109.976 -179.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.696 . . . . 0.0 109.783 -178.628 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.431 0.634 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.74 -42.27 92.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.684 . . . . 0.0 111.167 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.26 -41.05 97.12 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.699 -1.251 . . . . 0.0 110.816 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.72 92.41 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 5' ' ' ILE . 75.0 mt -67.44 -40.02 83.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.185 -1.186 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.31 -49.94 75.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.727 -1.233 . . . . 0.0 109.974 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.41 -39.52 89.03 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.866 -1.146 . . . . 0.0 109.12 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.84 76.79 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.738 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.17 129.8 41.04 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 110.644 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -148.76 -164.93 2.14 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 13' ' ' GLU . 65.5 mm-40 -71.05 154.03 42.11 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.33 -0.856 . . . . 0.0 109.271 179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -64.44 73.1 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 11' ' ' GLU . 90.3 mt-10 -96.53 -162.14 0.93 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.581 -0.699 . . . . 0.0 109.229 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.425 ' O ' ' OG ' ' B' ' 17' ' ' SER . 67.8 mttm -69.94 -26.62 64.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.706 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -59.7 -35.54 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.917 -1.114 . . . . 0.0 110.199 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.15 -41.0 91.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.605 -1.309 . . . . 0.0 108.666 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.448 ' HG ' ' H ' ' B' ' 18' ' ' ASN . 91.7 p -61.95 -44.07 97.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.961 -1.087 . . . . 0.0 108.496 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.448 ' H ' ' HG ' ' B' ' 17' ' ' SER . 28.0 m120 -92.02 86.19 5.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.0 109.152 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -72.33 -25.67 61.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.512 -0.743 . . . . 0.0 110.001 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -60.41 -41.56 94.18 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.819 -0.753 . . . . 0.0 109.781 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.22 92.61 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.151 -0.968 . . . . 0.0 110.111 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.89 -46.47 89.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.899 -1.126 . . . . 0.0 109.067 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.81 -41.77 99.44 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.684 0.754 . . . . 0.0 109.815 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.2 -39.96 78.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.74 -41.45 95.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.354 -0.841 . . . . 0.0 109.807 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.64 0.28 35.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.373 -0.829 . . . . 0.0 110.024 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.08 50.81 15.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.168 -0.958 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -122.44 153.0 62.12 Favored Pre-proline 0 N--CA 1.498 1.972 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.77 160.57 47.7 Favored 'Trans proline' 0 N--CA 1.503 2.079 0 C-N-CA 121.88 1.72 . . . . 0.0 112.289 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.18 -19.37 12.06 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.579 2.186 . . . . 0.0 112.052 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -50.38 80.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.049 -1.032 . . . . 0.0 110.711 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.79 -44.71 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.746 -1.221 . . . . 0.0 108.676 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.48 97.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -0.97 . . . . 0.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -63.73 -39.92 95.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.08 -1.012 . . . . 0.0 109.609 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.45 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.6 tm-20 -60.51 -41.2 93.87 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.125 -0.984 . . . . 0.0 109.974 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -64.89 -40.44 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.07 -40.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.425 -0.797 . . . . 0.0 109.133 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.93 -29.66 66.86 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.572 0.701 . . . . 0.0 110.226 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.45 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 65.8 m -70.72 -39.1 73.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.855 -1.153 . . . . 0.0 109.196 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.17 113.7 9.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.016 -1.053 . . . . 0.0 109.196 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.99 -40.26 88.57 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.608 -0.683 . . . . 0.0 109.552 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.7 -40.03 90.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.018 -1.051 . . . . 0.0 111.209 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.05 -34.97 50.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.874 -1.141 . . . . 0.0 109.981 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.5 tt0 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.222 -0.924 . . . . 0.0 110.365 -178.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.157 0.503 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.83 -40.09 95.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.359 -0.838 . . . . 0.0 110.204 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.66 -42.59 98.07 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.133 -0.98 . . . . 0.0 109.621 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.31 96.8 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.56 -39.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.422 -1.046 . . . . 0.0 109.989 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.5 -49.68 76.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.149 -0.969 . . . . 0.0 110.63 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -68.05 -40.25 82.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.922 -1.112 . . . . 0.0 109.461 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -26.43 64.5 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 109.95 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.17 131.59 51.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 108.991 -179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 45.3 tt0 -153.85 161.13 42.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.351 -0.843 . . . . 0.0 108.95 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.5 tp10 -53.02 153.35 3.51 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 109.335 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -65.91 70.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.447 -0.783 . . . . 0.0 109.356 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.7 tt0 -101.07 -149.75 0.38 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.647 0.737 . . . . 0.0 109.648 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 98.4 mttt -70.18 -34.67 73.25 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.528 -0.732 . . . . 0.0 110.948 -179.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -59.82 -37.79 80.19 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.152 -0.967 . . . . 0.0 109.141 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' NE2' ' O ' ' A' ' 10' ' ' GLU . 7.5 m170 -60.54 -42.24 96.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.875 -1.14 . . . . 0.0 109.072 179.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.649 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 86.2 p -60.36 -48.59 81.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.939 -1.1 . . . . 0.0 109.599 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.649 ' N ' ' HG ' ' A' ' 17' ' ' SER . 83.1 m-20 -95.98 87.89 4.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.054 -1.029 . . . . 0.0 109.588 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.613 ' CE2' ' NZ ' ' A' ' 34' ' ' LYS . 66.1 p-90 -70.05 -22.47 63.07 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.217 -0.927 . . . . 0.0 109.589 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.35 -40.88 92.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.053 -1.029 . . . . 0.0 109.092 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.18 94.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.126 -0.984 . . . . 0.0 109.195 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.1 ttm -60.75 -45.98 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.419 -0.8 . . . . 0.0 109.623 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.11 -42.16 99.5 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.327 -0.858 . . . . 0.0 109.371 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 t -69.87 -40.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -60.42 -40.2 90.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -100.84 1.76 40.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.539 -0.725 . . . . 0.0 109.68 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.2 m-20 53.61 44.95 29.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -116.4 152.67 48.35 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.54 161.32 46.46 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 121.458 1.439 . . . . 0.0 110.737 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.21 -17.54 11.97 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.542 2.161 . . . . 0.0 111.793 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.16 -50.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.0 110.441 -178.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.81 -47.96 77.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 120.975 -1.078 . . . . 0.0 109.149 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.81 94.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.613 ' NZ ' ' CE2' ' A' ' 19' ' ' TRP . 17.3 mmtm -63.98 -39.97 95.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.089 -1.007 . . . . 0.0 109.762 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 5.5 tm-20 -60.78 -40.29 92.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.031 -1.043 . . . . 0.0 109.805 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 36' ' ' ILE . 96.8 mt -61.72 -39.73 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.37 -39.52 83.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.68 74.17 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.876 -0.515 . . . . 0.0 109.749 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.452 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 68.6 m -73.92 -39.03 64.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.171 -0.955 . . . . 0.0 110.166 -179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.03 117.42 18.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 108.799 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.46 -40.1 93.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.139 -0.976 . . . . 0.0 110.234 -179.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.9 -42.07 97.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.413 -0.805 . . . . 0.0 110.183 -179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.2 m -79.21 -23.59 43.69 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.056 -1.027 . . . . 0.0 109.942 -179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.25 -0.906 . . . . 0.0 110.268 -178.326 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.249 0.547 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.7 -40.05 95.82 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.393 -0.817 . . . . 0.0 110.129 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 3' ' ' ASP . 31.6 t0 -64.08 -41.26 97.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.546 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 -37.85 95.16 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.33 -39.61 85.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.659 -0.907 . . . . 0.0 109.964 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.86 -49.36 78.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.926 -1.109 . . . . 0.0 110.816 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -67.44 -40.47 85.43 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.987 -1.071 . . . . 0.0 109.084 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -26.77 64.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.558 -0.714 . . . . 0.0 110.102 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.14 131.79 51.92 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.156 -0.965 . . . . 0.0 109.352 -179.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 46.9 tt0 -155.38 158.5 38.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.866 . . . . 0.0 109.233 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' B' ' 13' ' ' GLU . 8.5 tp10 -50.05 153.9 1.27 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.204 -0.935 . . . . 0.0 109.39 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 71.1 t60 -67.25 71.91 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.9 . . . . 0.0 109.604 -179.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 11' ' ' GLU . 15.3 tt0 -101.73 -149.79 0.39 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.579 0.704 . . . . 0.0 109.62 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.419 ' O ' ' OG ' ' B' ' 17' ' ' SER . 95.5 mttt -70.02 -34.36 73.17 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.609 -0.682 . . . . 0.0 110.996 -179.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -60.18 -39.02 85.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.095 -1.003 . . . . 0.0 109.199 -178.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' B' ' 10' ' ' GLU . 7.7 m170 -60.56 -41.3 94.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.79 -1.194 . . . . 0.0 109.025 179.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.665 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 90.9 p -60.6 -49.42 77.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.8 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.665 ' N ' ' HG ' ' B' ' 17' ' ' SER . 83.2 m-20 -95.22 88.27 5.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.178 -0.951 . . . . 0.0 109.207 179.39 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 34' ' ' LYS . 66.5 p-90 -70.37 -22.58 62.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.078 -1.014 . . . . 0.0 109.57 179.731 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.94 -39.81 90.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.78 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.067 . . . . 0.0 108.667 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.2 ttm -60.9 -45.59 94.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.851 . . . . 0.0 109.756 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.85 -41.94 97.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.082 -1.011 . . . . 0.0 109.531 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -69.28 -40.5 77.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.905 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.56 -40.65 92.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 0.0 109.571 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.34 1.86 41.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.48 -0.763 . . . . 0.0 109.714 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 23' ' ' ALA . 96.0 m-20 53.61 44.4 29.82 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.468 -0.77 . . . . 0.0 109.266 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -115.36 152.79 47.31 Favored Pre-proline 0 N--CA 1.5 2.074 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 161.56 45.55 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.688 1.592 . . . . 0.0 110.95 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.56 -17.41 12.79 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.443 2.095 . . . . 0.0 111.623 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.55 -50.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.058 -1.027 . . . . 0.0 110.406 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.93 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.65 98.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 19' ' ' TRP . 17.6 mmtm -63.03 -39.79 95.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.209 -0.932 . . . . 0.0 109.608 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.466 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.2 tm-20 -61.1 -40.66 94.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 109.487 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.26 -40.3 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 108.831 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.76 -40.53 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.28 73.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.931 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.466 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 69.8 m -73.94 -39.64 63.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.039 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.0 t -76.71 118.9 19.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.064 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.06 -40.18 94.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 110.496 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.01 -41.38 98.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 110.358 -178.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 40.0 m -79.6 -22.45 43.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.787 -1.196 . . . . 0.0 110.037 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.256 -0.902 . . . . 0.0 109.913 -178.477 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.27 0.557 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.08 -42.39 94.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.592 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -64.14 -39.96 95.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.994 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.51 97.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.85 -40.07 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.618 -0.931 . . . . 0.0 110.682 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -46.29 89.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.15 . . . . 0.0 109.645 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.45 -39.96 77.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.104 -0.997 . . . . 0.0 109.172 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.14 62.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.54 -0.725 . . . . 0.0 110.109 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.15 137.68 58.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.179 -0.951 . . . . 0.0 109.876 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -158.42 165.71 34.0 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -59.48 152.15 22.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.091 -1.005 . . . . 0.0 109.48 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.91 78.05 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.428 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 11' ' ' GLU . 75.5 mm-40 -100.59 -159.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.638 -0.663 . . . . 0.0 109.38 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.01 -30.64 68.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.244 -0.91 . . . . 0.0 109.758 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.03 -36.25 76.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.387 -0.821 . . . . 0.0 109.188 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -59.96 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.052 -1.03 . . . . 0.0 109.182 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -60.06 -45.74 91.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.966 -1.084 . . . . 0.0 109.118 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.12 88.98 5.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 109.435 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.94 -29.02 66.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.948 . . . . 0.0 109.684 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 40.3 mtm-85 -60.8 -41.06 94.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 110.481 -178.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.963 -1.086 . . . . 0.0 109.056 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 ttp -65.37 -40.68 93.85 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.439 -0.788 . . . . 0.0 109.578 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.93 96.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.232 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -66.26 -39.98 89.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 0.0 109.907 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.61 -40.02 95.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -0.924 . . . . 0.0 110.025 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -98.42 -0.53 43.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 53.85 46.52 25.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.779 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.21 150.9 46.05 Favored Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.35 159.93 51.78 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 121.342 1.361 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.66 -21.22 10.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.685 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.47 -54.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.84 -44.99 92.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.413 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.92 89.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.428 -0.795 . . . . 0.0 109.85 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -63.28 -39.34 94.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.154 -0.966 . . . . 0.0 110.066 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.73 -1.232 . . . . 0.0 109.692 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.2 -39.96 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.406 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.68 -39.96 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.94 95.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 109.384 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m -71.59 -39.98 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.94 111.46 10.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.982 -1.074 . . . . 0.0 108.772 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.15 -39.92 88.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.323 -0.861 . . . . 0.0 110.674 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.38 -40.02 89.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 110.375 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.23 -27.27 47.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.023 -1.048 . . . . 0.0 110.038 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.589 HE21 ' HG3' ' B' ' 44' ' ' GLN . 62.6 tt0 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.25 -0.906 . . . . 0.0 110.534 -178.544 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.0 -42.59 94.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.231 -0.918 . . . . 0.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.06 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.44 97.12 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.91 -40.06 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -1.008 . . . . 0.0 110.707 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.04 -46.32 89.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.941 -1.099 . . . . 0.0 109.588 -179.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.38 -40.07 77.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.936 . . . . 0.0 109.167 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.2 63.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.577 -0.702 . . . . 0.0 110.168 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.14 137.69 58.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 0.0 109.88 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -158.47 165.61 34.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.0 108.791 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 13' ' ' GLU . 51.1 mt-10 -59.27 152.13 21.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.948 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.92 78.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.425 -0.797 . . . . 0.0 109.405 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 11' ' ' GLU . 75.6 mm-40 -100.47 -159.29 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.632 -0.668 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -30.63 67.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -60.04 -36.19 76.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.313 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -60.09 -39.93 87.83 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.092 -1.005 . . . . 0.0 109.141 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -60.16 -45.7 92.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.873 -1.142 . . . . 0.0 109.037 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.08 89.01 5.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.99 -29.02 66.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.664 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 20' ' ' ARG . 40.1 mtm-85 -60.85 -40.97 94.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -178.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.27 95.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.989 -1.07 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -65.3 -40.74 94.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.443 -0.786 . . . . 0.0 109.617 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.92 96.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.081 -1.012 . . . . 0.0 109.229 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -66.25 -39.99 89.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.391 -0.818 . . . . 0.0 109.896 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.56 -40.01 95.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.149 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -98.57 -0.42 43.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.198 -0.939 . . . . 0.0 109.989 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 53.85 46.42 25.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 109.76 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -116.12 150.86 45.9 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.24 159.97 51.7 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 121.303 1.336 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.66 -21.27 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.361 2.04 . . . . 0.0 111.768 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.44 -54.41 31.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 110.39 -178.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.85 -45.07 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.111 -0.993 . . . . 0.0 109.388 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.85 89.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.32 -39.23 93.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.121 -0.987 . . . . 0.0 110.105 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.633 -1.292 . . . . 0.0 109.634 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.21 -40.05 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.968 -1.082 . . . . 0.0 108.458 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.6 -40.0 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.95 95.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.611 -0.68 . . . . 0.0 109.32 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.8 m -71.57 -40.04 70.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.057 -1.027 . . . . 0.0 109.535 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -74.96 111.37 10.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.958 -1.089 . . . . 0.0 108.776 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.13 -39.96 88.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.347 -0.845 . . . . 0.0 110.549 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.26 -39.92 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.0 110.513 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.27 -27.39 47.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.589 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.3 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 110.619 -178.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.64 -40.08 84.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.51 -43.14 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.956 . . . . 0.0 110.383 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.39 97.32 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.76 -40.07 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.641 -0.917 . . . . 0.0 110.327 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.98 -48.61 81.01 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 -178.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.79 -40.02 79.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.854 -1.154 . . . . 0.0 109.649 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -28.77 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.017 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.49 137.6 58.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.782 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -169.9 163.93 9.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.34 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.966 -1.084 . . . . 0.0 109.513 -179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -70.15 79.02 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.099 -1.001 . . . . 0.0 110.29 -178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -77.13 170.56 16.32 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.9 -28.16 69.65 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.3 -24.34 64.9 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.397 -0.814 . . . . 0.0 110.117 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.74 -39.91 86.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.805 -1.184 . . . . 0.0 109.39 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -60.42 -43.08 97.11 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.771 -1.206 . . . . 0.0 108.9 179.346 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -92.62 85.0 5.14 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.162 -0.961 . . . . 0.0 109.288 179.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -70.14 -26.74 64.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.242 -0.911 . . . . 0.0 109.842 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.92 -41.38 96.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.115 -0.99 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.07 90.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 109.648 -179.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.92 -43.33 98.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 110.013 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.64 93.16 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 109.681 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -64.77 -39.92 94.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.444 -0.785 . . . . 0.0 110.231 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.72 -40.04 95.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.956 . . . . 0.0 110.225 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -100.41 1.2 41.1 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.178 -0.951 . . . . 0.0 110.242 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.85 46.74 23.84 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.371 -0.831 . . . . 0.0 109.589 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.1 mt -118.99 151.62 50.66 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.0 Cg_endo -70.26 148.62 62.25 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.639 1.559 . . . . 0.0 111.342 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -41.6 -20.37 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.277 1.985 . . . . 0.0 112.74 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.7 t -60.08 -50.5 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 111.035 -178.146 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.58 -41.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 120.874 -1.141 . . . . 0.0 109.171 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.19 95.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.9 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.72 -37.53 86.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.059 -1.026 . . . . 0.0 110.058 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 11.2 tm-20 -59.92 -40.08 87.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.962 -1.086 . . . . 0.0 109.616 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.18 -40.02 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.842 -1.162 . . . . 0.0 108.784 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -40.1 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.853 . . . . 0.0 108.806 178.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.95 93.8 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.615 -0.678 . . . . 0.0 109.44 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 58.3 m -72.07 -39.95 68.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 109.678 -179.491 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 t -76.02 107.6 8.34 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.05 -39.83 87.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 109.943 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 -32.38 59.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.987 -1.07 . . . . 0.0 109.582 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.689 HE21 ' CG ' ' B' ' 44' ' ' GLN . 57.9 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 111.362 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.4 -40.02 85.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.441 -0.787 . . . . 0.0 110.069 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.78 -43.19 99.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.293 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -39.59 97.51 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.57 -40.0 83.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.62 -0.929 . . . . 0.0 110.414 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.98 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.929 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.75 -40.11 79.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.844 -1.16 . . . . 0.0 109.658 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.85 65.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.454 -0.779 . . . . 0.0 110.081 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.4 137.74 58.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.774 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -169.93 164.0 9.58 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.51 169.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.892 -1.13 . . . . 0.0 109.491 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -69.99 79.04 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.107 -0.996 . . . . 0.0 110.347 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -77.08 170.67 16.11 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.08 -27.92 69.43 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.55 -23.97 65.03 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.3 -0.875 . . . . 0.0 110.072 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.747 -1.22 . . . . 0.0 109.277 -179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -60.46 -42.98 97.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 108.793 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -92.77 84.79 5.04 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 179.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -70.07 -26.57 64.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.0 109.874 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.89 -41.01 95.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.837 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.96 91.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.845 . . . . 0.0 109.651 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.9 ttm -61.08 -43.27 99.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.38 -0.825 . . . . 0.0 109.875 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.28 94.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.762 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -65.25 -40.03 93.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 110.197 -179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.59 -40.01 95.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.96 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -100.25 1.43 41.77 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.294 -0.879 . . . . 0.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.48 46.82 24.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 109.642 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -118.99 151.42 50.39 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.419 -0.8 . . . . 0.0 108.867 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.5 Cg_endo -70.11 148.56 63.1 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.628 1.552 . . . . 0.0 111.407 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.59 -20.4 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.301 2.001 . . . . 0.0 112.688 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.6 t -60.02 -50.71 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.903 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.24 -41.8 81.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.868 -1.145 . . . . 0.0 109.129 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.26 95.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.354 -0.841 . . . . 0.0 109.826 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.67 -37.76 87.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.059 -1.026 . . . . 0.0 109.918 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.441 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 11.4 tm-20 -59.92 -40.08 87.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.931 -1.106 . . . . 0.0 109.455 -179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.91 -40.07 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.778 -1.202 . . . . 0.0 108.813 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.21 -40.01 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.28 -39.81 93.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.696 -0.628 . . . . 0.0 109.462 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.441 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 58.1 m -72.21 -39.96 68.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -0.954 . . . . 0.0 109.622 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.99 107.64 8.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 108.285 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.447 -0.783 . . . . 0.0 109.857 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.01 -40.08 87.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.378 -0.826 . . . . 0.0 110.034 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -75.84 -32.16 59.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.002 -1.061 . . . . 0.0 109.694 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.689 ' CG ' HE21 ' A' ' 44' ' ' GLN . 7.4 tt0 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 111.318 -177.899 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.488 0.661 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.76 -42.44 98.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.705 -0.622 . . . . 0.0 111.031 -178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.02 -40.61 98.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.929 -1.107 . . . . 0.0 109.83 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -40.06 98.23 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.66 -40.71 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.671 -0.899 . . . . 0.0 110.551 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -59.84 -46.59 88.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.797 -1.19 . . . . 0.0 110.022 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.16 -40.31 82.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.172 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -28.59 65.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.145 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.33 140.2 58.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.0 109.833 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.89 -179.79 5.45 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLU . 88.2 tt0 -61.44 152.1 30.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.666 -1.271 . . . . 0.0 109.898 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 64.4 t60 -64.02 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.61 0.719 . . . . 0.0 110.076 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.8 mt-10 -84.35 -165.64 1.22 Allowed 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.668 -0.645 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.12 -29.3 66.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.733 -0.604 . . . . 0.0 109.465 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.25 -32.49 68.41 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.426 -0.796 . . . . 0.0 109.919 -178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -59.86 -40.23 87.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.681 -1.262 . . . . 0.0 108.463 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -47.15 85.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -93.04 82.17 4.59 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -69.68 -27.72 65.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.185 -0.947 . . . . 0.0 109.924 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.69 -40.3 94.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.039 -1.038 . . . . 0.0 110.419 -179.239 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.53 96.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -0.922 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.06 97.51 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.586 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -68.67 -39.84 80.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.83 -41.29 95.47 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.191 -0.943 . . . . 0.0 110.201 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -98.42 1.18 46.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.101 -1.0 . . . . 0.0 109.287 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 55.2 43.2 29.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.422 -0.799 . . . . 0.0 110.583 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 mt -111.85 150.24 42.01 Favored Pre-proline 0 N--CA 1.503 2.196 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 42.1 Cg_endo -68.77 148.96 72.48 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.416 1.41 . . . . 0.0 111.292 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.43 -20.4 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.072 1.848 . . . . 0.0 112.041 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' PRO . 74.2 t -59.62 -52.05 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.142 -0.974 . . . . 0.0 111.118 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.97 -41.42 81.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.894 -1.129 . . . . 0.0 109.192 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.68 93.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -63.77 -40.16 96.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.083 -1.011 . . . . 0.0 109.725 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -61.41 -41.03 96.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.945 -1.097 . . . . 0.0 110.096 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.99 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.76 -40.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.561 -0.712 . . . . 0.0 109.892 -179.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 m -70.37 -38.44 74.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.064 -1.022 . . . . 0.0 109.414 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.4 110.68 8.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.17 -0.956 . . . . 0.0 108.881 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.584 0.706 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -59.67 -39.63 85.1 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.01 -1.056 . . . . 0.0 109.479 -178.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.84 -47.47 21.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.097 -1.002 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.501 2.088 0 O-C-N 121.322 -0.861 . . . . 0.0 110.863 -178.02 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.631 0.729 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.96 -42.99 99.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.456 -0.777 . . . . 0.0 111.131 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.28 -41.44 98.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -0.953 . . . . 0.0 109.977 -179.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -39.92 97.92 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.53 -40.45 86.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.461 -1.023 . . . . 0.0 110.662 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.905 -1.122 . . . . 0.0 110.091 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -68.08 -40.2 82.74 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.755 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -29.4 65.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.352 -0.842 . . . . 0.0 109.916 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.14 140.28 57.93 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.465 -0.772 . . . . 0.0 109.352 -178.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -166.0 179.98 5.52 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 13' ' ' GLU . 88.5 tt0 -60.95 152.6 27.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.77 -1.206 . . . . 0.0 109.849 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 62.8 t60 -64.88 72.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.535 -0.728 . . . . 0.0 109.58 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 11' ' ' GLU . 60.6 mt-10 -85.86 -165.03 1.12 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.57 0.7 . . . . 0.0 109.482 179.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.96 -29.6 66.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.338 0.589 . . . . 0.0 109.48 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -56.85 -33.35 66.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.257 -0.902 . . . . 0.0 109.952 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -59.4 -40.61 87.15 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.91 -1.119 . . . . 0.0 108.748 179.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 57.8 p -62.08 -48.13 81.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.031 -1.043 . . . . 0.0 109.143 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.62 83.73 4.94 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.346 -0.846 . . . . 0.0 108.756 178.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.17 -28.63 65.48 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.292 -0.88 . . . . 0.0 109.776 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.19 -40.21 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.281 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.89 97.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.67 -1.269 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.94 -42.41 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.243 -0.91 . . . . 0.0 109.866 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.76 96.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.02 -1.05 . . . . 0.0 109.909 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -67.72 -40.47 84.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 109.943 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.57 -41.13 93.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.318 -0.863 . . . . 0.0 110.091 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -98.66 0.94 45.72 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.243 -0.91 . . . . 0.0 109.674 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 55.89 40.8 30.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.428 -0.795 . . . . 0.0 110.695 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -109.84 150.49 41.41 Favored Pre-proline 0 N--CA 1.501 2.101 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.0 Cg_endo -68.58 149.24 73.9 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.597 1.531 . . . . 0.0 111.178 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -43.33 -20.06 0.19 Allowed 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 121.756 1.637 . . . . 0.0 112.176 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.2 t -59.92 -51.54 71.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.199 -0.938 . . . . 0.0 110.901 -178.222 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.97 -40.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.925 -1.11 . . . . 0.0 109.198 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.12 91.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.189 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -63.08 -40.03 96.45 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.991 -1.068 . . . . 0.0 109.671 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.57 -41.2 97.05 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.943 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -40.69 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.81 -39.87 86.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.88 67.7 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.595 -0.691 . . . . 0.0 109.996 -178.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.0 m -71.0 -37.75 72.67 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 109.283 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -74.21 110.29 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.289 -0.882 . . . . 0.0 109.05 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -39.44 85.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.663 -0.648 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -59.85 -38.91 83.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.105 -0.997 . . . . 0.0 109.545 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.82 -47.07 19.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.727 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 N--CA 1.501 2.111 0 O-C-N 121.29 -0.881 . . . . 0.0 110.679 -177.688 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.576 0.703 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.642 -0.661 . . . . 0.0 110.222 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.07 -40.36 94.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 0.0 110.551 -179.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.02 98.7 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.653 -1.779 . . . . 0.0 108.653 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.416 HD11 HG22 ' A' ' 5' ' ' ILE . 82.1 mt -67.92 -40.05 82.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.556 -0.967 . . . . 0.0 109.998 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.0 -50.09 75.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.38 -40.04 81.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.021 -1.05 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -23.91 63.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.638 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.96 140.11 58.35 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.934 -1.104 . . . . 0.0 109.769 -179.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.92 158.38 8.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.51 -0.744 . . . . 0.0 109.399 -179.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 43.0 tt0 -46.48 157.13 0.15 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 109.867 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.1 t60 -66.89 67.67 0.06 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLU . 68.7 mm-40 -82.34 -165.32 0.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 0.0 109.968 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' A' ' 17' ' ' SER . 96.4 mttt -69.99 -28.84 65.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -59.89 -33.71 72.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.927 . . . . 0.0 109.736 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.88 -40.58 89.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.844 -1.16 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.586 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 89.0 p -61.09 -43.04 99.49 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.889 -1.132 . . . . 0.0 108.356 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.586 ' N ' ' HG ' ' A' ' 17' ' ' SER . 35.0 m120 -94.63 81.52 3.88 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.366 -0.834 . . . . 0.0 109.296 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -69.94 -27.6 64.89 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.197 -0.94 . . . . 0.0 109.802 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.92 -40.11 91.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 109.784 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.09 99.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 109.788 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -62.15 -41.03 97.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.836 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.05 96.25 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.141 -0.974 . . . . 0.0 108.937 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -69.06 -40.17 78.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 110.055 -179.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -100.29 2.6 42.79 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.346 -0.846 . . . . 0.0 110.507 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.21 46.52 26.35 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -118.51 151.91 50.34 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.185 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.91 150.21 60.83 Favored 'Trans proline' 0 N--CA 1.49 1.312 0 C-N-CA 121.407 1.405 . . . . 0.0 111.083 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -42.44 -18.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.877 1.718 . . . . 0.0 111.842 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.3 t -60.12 -51.58 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.06 -1.025 . . . . 0.0 110.933 -178.321 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.03 -40.21 80.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.93 -1.106 . . . . 0.0 109.096 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.82 97.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.443 -0.786 . . . . 0.0 109.823 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -61.53 -40.08 93.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.021 -1.049 . . . . 0.0 110.275 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.11 -41.22 92.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.896 -1.128 . . . . 0.0 109.668 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.41 -40.15 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.021 -1.049 . . . . 0.0 108.548 179.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.06 -41.34 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.488 -0.757 . . . . 0.0 109.199 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.1 -31.52 69.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.336 -0.853 . . . . 0.0 109.466 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -73.18 -37.32 66.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.3 t -74.02 111.39 9.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.102 -0.999 . . . . 0.0 108.831 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.21 -39.98 88.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.97 -40.03 87.69 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 110.409 -179.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.57 -33.35 60.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.839 -1.163 . . . . 0.0 110.438 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.634 HE21 ' HG3' ' B' ' 44' ' ' GLN . 51.0 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.18 -0.95 . . . . 0.0 110.948 -177.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.487 0.661 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.55 -40.2 93.83 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.637 -0.665 . . . . 0.0 110.327 -179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.04 -40.22 94.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 110.523 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.0 98.68 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 5' ' ' ILE . 81.8 mt -67.87 -40.11 82.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.726 -0.867 . . . . 0.0 110.101 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.02 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.211 -0.93 . . . . 0.0 110.442 -179.061 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -68.25 -39.99 82.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.923 -1.111 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.35 63.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.58 140.01 58.18 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.088 -1.008 . . . . 0.0 109.749 -179.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.88 158.7 9.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.523 -0.736 . . . . 0.0 109.25 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 42.6 tt0 -46.85 157.49 0.15 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.826 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.1 t60 -67.22 67.56 0.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 109.741 -179.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 67.7 mm-40 -82.33 -165.16 0.95 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.308 -0.87 . . . . 0.0 109.88 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 17' ' ' SER . 96.4 mttt -70.02 -28.72 65.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.388 -0.82 . . . . 0.0 109.629 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -59.79 -33.96 72.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.524 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.03 -40.4 89.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.636 -1.29 . . . . 0.0 108.787 -179.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.589 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 89.4 p -61.15 -43.2 99.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.939 -1.101 . . . . 0.0 108.475 179.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.589 ' N ' ' HG ' ' B' ' 17' ' ' SER . 35.5 m120 -94.23 81.84 4.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.212 179.198 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.206 -0.934 . . . . 0.0 109.88 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -60.76 -40.09 91.19 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.48 -41.01 98.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.915 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.17 96.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.069 -1.02 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -68.93 -40.12 79.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.186 -0.946 . . . . 0.0 109.738 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -61.61 -40.0 93.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.266 -0.896 . . . . 0.0 109.94 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.11 2.31 43.03 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.36 -0.838 . . . . 0.0 110.53 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 53.49 46.32 26.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 110.362 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.4 151.74 49.95 Favored Pre-proline 0 N--CA 1.504 2.274 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.7 Cg_endo -70.73 150.01 61.59 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.482 1.455 . . . . 0.0 111.179 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -42.14 -18.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.836 1.691 . . . . 0.0 111.753 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.0 t -59.68 -51.74 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.045 -1.035 . . . . 0.0 111.087 -178.279 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.29 -39.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.076 -1.015 . . . . 0.0 109.183 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.71 97.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.425 -0.797 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -61.84 -39.82 93.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.03 -41.57 92.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.557 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.18 -40.06 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.959 -1.088 . . . . 0.0 108.666 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.1 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.456 -0.777 . . . . 0.0 109.305 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.63 69.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -73.17 -37.47 66.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.451 -0.781 . . . . 0.0 109.516 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -73.96 111.19 8.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.176 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.09 -39.94 87.87 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 110.171 -179.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.82 -33.23 60.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.879 -1.138 . . . . 0.0 110.487 -179.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.634 ' HG3' HE21 ' A' ' 44' ' ' GLN . 10.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 110.947 -177.722 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.455 0.645 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.81 -40.43 92.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.0 110.089 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.02 -40.3 96.03 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.311 -179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -33.31 73.06 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.48 -39.22 80.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.613 -0.934 . . . . 0.0 110.093 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.17 -46.87 88.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.094 -1.004 . . . . 0.0 109.443 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -68.95 -40.51 78.89 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.754 -0.779 . . . . 0.0 110.118 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.34 68.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.875 . . . . 0.0 110.333 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -61.27 140.13 58.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 110.35 -178.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.39 172.79 4.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 13' ' ' GLU . 78.4 mm-40 -54.99 162.25 1.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 -179.297 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -65.32 72.57 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.475 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.8 tt0 -79.21 169.96 17.35 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -27.62 69.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 108.79 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.64 -26.17 61.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.201 -0.937 . . . . 0.0 109.09 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -60.21 -39.94 88.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.034 -1.041 . . . . 0.0 108.556 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.38 -41.39 97.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.961 -1.087 . . . . 0.0 109.062 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -92.73 83.56 4.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 108.961 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.1 p-90 -70.31 -25.95 63.56 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.471 -0.768 . . . . 0.0 109.495 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -61.14 -39.22 89.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.828 . . . . 0.0 109.804 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.49 97.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.37 -47.87 84.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.225 -0.922 . . . . 0.0 109.653 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.56 -40.17 96.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.147 -0.971 . . . . 0.0 109.41 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 t -68.91 -40.25 79.23 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.413 -0.804 . . . . 0.0 109.965 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.58 -40.14 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.16 -0.963 . . . . 0.0 109.935 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.41 -0.27 26.22 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.212 -0.93 . . . . 0.0 110.46 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.85 41.61 32.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.248 -0.907 . . . . 0.0 110.453 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 mt -107.18 136.43 19.51 Favored Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.125 -0.984 . . . . 0.0 108.678 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_exo -44.91 142.65 5.06 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.488 1.459 . . . . 0.0 111.393 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.83 -17.35 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.864 1.709 . . . . 0.0 112.292 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' PRO . 96.0 t -59.63 -50.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.877 -178.457 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.69 -45.63 91.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.896 -1.127 . . . . 0.0 108.886 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -48.23 82.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.907 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.38 -39.28 92.67 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.998 -1.064 . . . . 0.0 110.418 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -60.82 -40.27 92.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.274 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.76 -40.24 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.933 -1.104 . . . . 0.0 108.852 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.73 -40.31 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -29.73 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 110.067 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -73.66 -34.04 64.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.131 -0.98 . . . . 0.0 109.954 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.79 116.53 15.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.002 -1.061 . . . . 0.0 108.316 179.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.64 -39.84 89.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.314 -0.866 . . . . 0.0 109.947 -179.021 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.98 -39.48 89.81 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 110.007 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.0 m -76.21 -38.79 55.99 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.987 -1.071 . . . . 0.0 110.475 -179.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.301 -1.538 0 O-C-N 121.425 -0.797 . . . . 0.0 109.761 -177.77 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.315 0.579 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.45 -40.55 94.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.81 -40.23 96.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.396 -0.815 . . . . 0.0 110.396 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 -33.48 68.17 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -67.8 -39.63 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.487 -1.007 . . . . 0.0 109.696 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.55 -46.98 87.29 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.576 -179.132 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -68.89 -40.07 79.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.376 -0.827 . . . . 0.0 109.977 -179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.85 67.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.294 -0.879 . . . . 0.0 110.341 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -61.84 140.18 58.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.0 110.584 -178.385 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -172.82 174.4 3.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' B' ' 13' ' ' GLU . 77.4 mm-40 -56.95 162.1 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.0 109.802 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.94 72.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.119 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 11' ' ' GLU . 62.5 tt0 -79.25 171.01 15.78 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.08 -27.69 69.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 108.661 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -56.79 -26.92 58.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.152 -0.968 . . . . 0.0 108.991 179.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -59.87 -40.27 88.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.864 -1.147 . . . . 0.0 108.722 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -61.52 -40.39 94.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.986 -1.071 . . . . 0.0 109.296 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -93.26 83.33 4.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.27 -0.894 . . . . 0.0 109.28 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -70.05 -26.18 63.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.024 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -60.96 -39.9 91.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.349 -0.844 . . . . 0.0 109.682 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.71 94.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.245 -0.909 . . . . 0.0 109.264 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -60.22 -48.96 79.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 109.651 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -61.59 -40.01 93.26 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.317 -0.865 . . . . 0.0 109.414 -179.702 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -69.09 -40.05 78.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.868 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.85 -40.83 94.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.118 -0.989 . . . . 0.0 110.013 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -105.02 -0.5 26.74 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.309 -0.869 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.06 40.86 32.06 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.21 -0.931 . . . . 0.0 110.72 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.28 135.92 19.41 Favored Pre-proline 0 N--CA 1.504 2.247 0 O-C-N 121.131 -0.98 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' B' ' 31' ' ' VAL . 86.3 Cg_exo -44.44 142.77 4.26 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.446 1.431 . . . . 0.0 111.536 179.331 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -42.13 -17.24 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.926 1.751 . . . . 0.0 112.054 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.0 t -59.79 -50.52 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 110.661 -178.322 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.77 -45.74 90.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.008 -1.057 . . . . 0.0 109.041 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.52 81.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 110.039 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.79 -39.69 92.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 110.199 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.56 -39.96 89.9 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.797 -179.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.46 -39.98 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.862 -1.149 . . . . 0.0 108.807 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.82 -39.94 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.124 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.9 67.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.507 -0.746 . . . . 0.0 110.266 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -74.82 -33.53 62.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.071 -1.018 . . . . 0.0 109.826 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 t -74.04 116.71 14.98 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.015 -1.053 . . . . 0.0 108.454 179.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 0.0 109.86 -179.104 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.07 -39.67 93.19 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.467 -0.77 . . . . 0.0 110.254 -178.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.6 -39.03 58.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.868 -1.145 . . . . 0.0 110.27 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.534 -0.729 . . . . 0.0 110.113 -177.832 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.632 0.73 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.6 -40.05 90.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.537 -0.727 . . . . 0.0 109.932 -178.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.33 -40.6 97.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.142 -0.974 . . . . 0.0 110.175 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -36.58 92.44 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -67.43 -40.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.429 -1.042 . . . . 0.0 110.398 -179.421 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -52.53 64.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.025 -1.047 . . . . 0.0 109.922 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -69.66 -39.99 76.71 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.515 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.42 76.33 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.693 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.6 tt0 -62.89 134.54 56.38 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -148.34 -164.99 2.15 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.915 -1.116 . . . . 0.0 109.433 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' GLU . 37.4 tt0 -72.27 148.43 45.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.176 -0.953 . . . . 0.0 109.161 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.7 t60 -67.45 69.99 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.302 -0.874 . . . . 0.0 109.169 -179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 tp10 -100.95 -151.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.514 -0.742 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 13' ' ' GLU . 44.1 mtpt -70.41 -28.82 65.37 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.572 -0.705 . . . . 0.0 109.862 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.57 -39.77 85.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -59.84 -40.22 87.78 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.851 -1.156 . . . . 0.0 108.475 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.529 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 57.0 p -61.69 -40.9 96.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.945 -1.097 . . . . 0.0 109.558 179.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.529 ' N ' ' HG ' ' A' ' 17' ' ' SER . 31.1 m120 -96.89 85.48 3.79 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -70.06 -26.49 64.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.51 -39.92 89.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.127 -0.983 . . . . 0.0 109.154 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.52 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.062 -1.024 . . . . 0.0 109.005 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.7 ttm -60.0 -48.81 80.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.433 -0.792 . . . . 0.0 109.762 -179.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -61.33 -45.47 94.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.324 -0.86 . . . . 0.0 109.447 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.203 -0.936 . . . . 0.0 109.86 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -62.36 -42.33 99.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.637 -0.664 . . . . 0.0 110.669 -178.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -103.5 2.24 33.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.501 -0.749 . . . . 0.0 110.137 -178.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.7 m120 56.13 42.18 28.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.531 -0.731 . . . . 0.0 110.538 179.168 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.9 mt -111.9 150.23 42.03 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.7 Cg_endo -66.42 148.16 83.67 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 121.56 1.507 . . . . 0.0 111.269 -179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.01 -20.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.43 2.087 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.7 t -59.69 -50.22 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 110.449 -178.073 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.49 -42.13 83.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 120.896 -1.128 . . . . 0.0 109.11 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.39 74.44 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.561 -0.855 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.8 -39.83 95.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 110.375 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.81 -41.59 95.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.835 -1.166 . . . . 0.0 109.585 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.69 -40.25 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.015 -1.053 . . . . 0.0 108.534 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.19 -39.67 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.642 -0.661 . . . . 0.0 109.265 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.68 67.92 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.31 -0.869 . . . . 0.0 109.642 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.7 m -69.93 -37.29 75.84 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.72 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.8 t -73.58 110.97 8.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.958 . . . . 0.0 109.563 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.93 -40.26 88.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.29 -39.4 86.77 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.106 -0.996 . . . . 0.0 109.755 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.7 m -78.41 -21.25 49.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.237 -0.915 . . . . 0.0 110.077 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.12 -0.987 . . . . 0.0 111.297 -177.947 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.09 -40.31 93.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.626 -0.671 . . . . 0.0 109.582 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.39 -41.77 98.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.301 -0.875 . . . . 0.0 110.439 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.62 92.25 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.64 -41.01 87.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.421 -1.047 . . . . 0.0 110.34 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.32 -52.02 67.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.966 -1.084 . . . . 0.0 110.28 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.44 -40.63 77.1 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.336 -0.852 . . . . 0.0 109.12 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.29 78.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.473 -0.767 . . . . 0.0 110.299 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.05 132.6 51.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.813 -1.179 . . . . 0.0 109.039 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -145.37 -164.9 2.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.118 -0.989 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.4 tt0 -72.91 146.94 45.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.979 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 65.0 t60 -66.25 70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 109.041 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 11' ' ' GLU . 3.9 tp10 -101.91 -151.63 0.42 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 49.8 mtpt -70.38 -28.81 65.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.92 -39.41 85.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 0.0 110.14 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -59.75 -40.03 86.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.782 -1.199 . . . . 0.0 108.683 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.594 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 65.0 p -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.978 -1.076 . . . . 0.0 109.177 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.594 ' N ' ' HG ' ' B' ' 17' ' ' SER . 30.2 m120 -95.21 85.49 4.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.043 . . . . 0.0 109.696 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -70.04 -27.1 64.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.266 -0.897 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.06 -40.38 89.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.852 -1.155 . . . . 0.0 109.189 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.17 87.23 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.117 -0.99 . . . . 0.0 109.192 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.2 -49.83 76.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 -179.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.14 -44.58 94.85 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -40.34 95.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.358 -0.839 . . . . 0.0 109.954 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 25' ' ' ASP . 56.1 t0 -62.54 -40.51 97.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 110.639 -178.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -105.1 2.67 29.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.395 -0.816 . . . . 0.0 109.844 -179.028 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.3 m120 55.29 42.62 30.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 0.0 110.379 178.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.34 150.91 43.28 Favored Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.1 Cg_endo -66.34 147.8 83.51 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.763 1.642 . . . . 0.0 111.253 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.02 -20.58 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.284 1.99 . . . . 0.0 112.638 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' B' ' 29' ' ' PRO . 71.6 t -59.41 -51.43 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.079 -1.013 . . . . 0.0 110.37 -178.273 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.46 -42.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.63 76.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.393 -0.817 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.04 -1.038 . . . . 0.0 109.815 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.95 -40.89 95.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.005 -1.059 . . . . 0.0 109.692 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 108.676 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.38 -39.21 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.419 -0.801 . . . . 0.0 109.393 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.51 68.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.3 m -70.54 -37.85 74.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.374 -0.829 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.64 111.15 7.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.005 -1.059 . . . . 0.0 109.219 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.22 -40.36 89.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.387 -0.82 . . . . 0.0 110.549 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.46 -40.33 86.55 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 109.86 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 86.1 m -78.42 -20.07 51.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 0.0 110.206 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.498 1.97 0 O-C-N 121.099 -1.001 . . . . 0.0 110.727 -178.016 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.175 0.512 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.27 -40.27 93.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.343 -0.848 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.15 -45.36 88.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 110.019 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.1 -38.73 94.79 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 5' ' ' ILE . 74.7 mt -64.75 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.433 -1.04 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.11 -48.93 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.948 -1.095 . . . . 0.0 109.857 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.68 -40.06 80.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.114 -0.991 . . . . 0.0 109.125 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -30.22 67.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.664 -0.648 . . . . 0.0 110.261 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -62.55 135.37 57.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 109.573 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -159.4 162.73 35.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.646 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' GLU . 39.8 tt0 -46.53 156.45 0.18 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.262 -0.899 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.3 t60 -65.19 66.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 11' ' ' GLU . 56.3 tt0 -80.46 176.35 9.86 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.691 -0.631 . . . . 0.0 109.82 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 97.2 mttt -62.64 -26.72 68.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 0.0 109.189 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -58.09 -30.33 66.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -59.93 -40.77 90.06 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.641 -1.287 . . . . 0.0 109.236 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -61.58 -41.24 97.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.984 -1.072 . . . . 0.0 108.582 179.397 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -93.0 81.19 4.57 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -69.93 -25.69 63.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 109.715 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -60.07 -41.02 91.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.816 -178.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.32 99.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.127 -0.983 . . . . 0.0 109.335 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -64.77 -41.25 96.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.73 -40.18 94.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.271 -0.893 . . . . 0.0 109.147 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 t -69.07 -39.95 78.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.533 -0.73 . . . . 0.0 109.943 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.74 -39.93 93.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.505 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -100.1 0.4 40.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.0 109.888 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.8 m120 52.32 46.96 25.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.17 -0.956 . . . . 0.0 110.259 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.75 151.37 44.6 Favored Pre-proline 0 N--CA 1.499 1.997 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.262 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.9 Cg_endo -70.2 149.54 64.25 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 121.524 1.483 . . . . 0.0 110.835 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.74 -20.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.84 1.693 . . . . 0.0 112.364 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' PRO . 97.7 t -56.48 -58.63 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.838 -1.164 . . . . 0.0 110.634 -178.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.64 -42.16 94.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.144 -0.973 . . . . 0.0 109.173 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.61 95.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.833 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.18 -40.03 95.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 109.638 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 2.8 tm-20 -60.94 -40.53 93.6 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.2 -39.98 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.042 . . . . 0.0 109.122 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.04 -39.89 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.63 69.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.578 -0.701 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 75.6 m -70.35 -39.54 74.59 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.215 -0.928 . . . . 0.0 109.156 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -76.11 109.45 9.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.911 . . . . 0.0 109.376 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.68 -39.88 90.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.426 -0.796 . . . . 0.0 111.089 -179.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.43 -39.87 84.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.983 -1.073 . . . . 0.0 109.274 -178.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 72.6 m -76.92 -34.52 57.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 0.0 110.121 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.602 HE21 ' HG3' ' B' ' 44' ' ' GLN . 58.0 tt0 . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.162 -0.961 . . . . 0.0 111.694 -177.681 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.3 0.572 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.17 -40.59 94.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 0.0 110.236 -179.404 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.05 -45.44 88.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.149 -0.97 . . . . 0.0 110.005 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -38.94 94.84 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.43 HG22 HD11 ' B' ' 5' ' ' ILE . 74.4 mt -64.84 -40.18 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.452 -1.028 . . . . 0.0 110.49 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.03 -49.23 78.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.027 -1.046 . . . . 0.0 109.87 -179.044 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.37 -40.16 81.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.7 -30.09 67.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.671 -0.643 . . . . 0.0 110.434 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -62.56 135.39 57.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -159.25 163.06 36.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.0 109.669 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.7 tt0 -47.18 156.38 0.24 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.114 -0.991 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.2 t60 -65.01 66.65 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.203 -0.936 . . . . 0.0 109.62 -179.231 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.7 tt0 -80.58 176.44 9.79 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.343 0.592 . . . . 0.0 109.781 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.437 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 97.7 mttt -62.79 -26.65 68.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.849 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -58.31 -30.11 66.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 0.0 109.981 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -59.99 -40.82 90.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.636 -1.29 . . . . 0.0 109.195 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.54 -41.16 96.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.869 -1.144 . . . . 0.0 108.658 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -92.97 80.75 4.58 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.77 -25.66 63.91 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.616 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -60.03 -40.8 90.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.162 -0.961 . . . . 0.0 110.021 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.272 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 54.4 ttp -64.9 -41.1 95.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 0.0 109.743 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.166 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -69.47 -40.02 77.37 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.49 -40.09 93.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.0 109.569 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -99.93 0.33 40.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.295 -0.878 . . . . 0.0 109.874 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 52.35 46.96 25.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.249 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -113.75 151.32 44.56 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.8 Cg_endo -70.18 149.55 64.37 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 121.571 1.514 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -40.6 -20.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.964 1.776 . . . . 0.0 112.413 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 29' ' ' PRO . 89.5 t -56.24 -58.75 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 110.726 -178.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.58 -42.12 94.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.168 -0.958 . . . . 0.0 109.165 -179.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.61 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.288 -0.883 . . . . 0.0 109.923 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.23 -39.94 95.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.612 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 2.8 tm-20 -61.19 -40.32 93.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.136 -0.978 . . . . 0.0 110.191 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.17 -40.15 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.017 -1.052 . . . . 0.0 109.004 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.0 -39.85 86.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.55 -30.65 69.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.576 -0.702 . . . . 0.0 109.521 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 74.7 m -70.32 -39.49 74.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -0.955 . . . . 0.0 109.219 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.28 109.48 10.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.267 -0.896 . . . . 0.0 109.402 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.64 -39.91 90.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.776 . . . . 0.0 110.976 -179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.47 -39.93 85.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.932 -1.105 . . . . 0.0 109.317 -178.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 70.9 m -76.74 -34.46 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 110.21 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.602 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.0 tt0 . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 111.823 -177.724 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.29 0.566 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.26 -40.47 90.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.189 -0.944 . . . . 0.0 110.8 -179.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.72 -43.5 97.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.108 -0.995 . . . . 0.0 110.357 -178.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -33.74 88.08 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.32 -39.77 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.469 -1.018 . . . . 0.0 110.321 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -60.54 -50.2 74.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.711 -1.243 . . . . 0.0 109.879 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.2 -40.82 94.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.637 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.07 68.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.57 -0.706 . . . . 0.0 110.354 -179.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.14 138.8 58.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.243 -0.911 . . . . 0.0 110.489 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.93 -178.6 4.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.439 -0.788 . . . . 0.0 109.741 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 64.8 mm-40 -61.72 150.68 36.03 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.342 -0.849 . . . . 0.0 108.855 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.1 t60 -65.96 77.64 0.08 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.9 mm-40 -96.02 -164.8 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.647 0.737 . . . . 0.0 109.838 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.38 -27.59 65.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.691 -0.631 . . . . 0.0 109.847 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -59.77 -32.46 70.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 109.609 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.34 -39.7 88.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.953 -1.092 . . . . 0.0 109.07 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.503 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 60.2 p -61.8 -42.15 98.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.591 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.503 ' N ' ' HG ' ' A' ' 17' ' ' SER . 32.8 m120 -93.44 89.51 6.34 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.139 -0.975 . . . . 0.0 109.325 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -70.53 -28.35 64.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.065 -1.022 . . . . 0.0 109.862 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.178 -0.951 . . . . 0.0 109.785 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.07 93.71 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.228 -0.92 . . . . 0.0 109.774 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 110.191 -179.256 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.24 -42.4 99.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.128 -0.983 . . . . 0.0 109.856 -179.332 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -69.09 -40.06 78.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.402 -0.811 . . . . 0.0 109.949 -179.672 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.34 -40.54 91.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.897 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -106.11 1.45 26.3 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.698 -0.626 . . . . 0.0 110.245 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.1 m120 54.21 44.92 28.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.213 -0.93 . . . . 0.0 110.539 179.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.5 mt -113.49 150.88 43.91 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.8 Cg_endo -67.55 149.38 79.69 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.748 1.632 . . . . 0.0 111.482 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.81 -21.15 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.271 1.981 . . . . 0.0 112.82 -179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.4 t -59.06 -54.22 37.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 120.971 -1.081 . . . . 0.0 110.65 -178.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.19 -42.05 90.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.791 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.96 81.56 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.388 -0.82 . . . . 0.0 109.938 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.986 -1.071 . . . . 0.0 110.007 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.1 -41.04 91.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.89 -1.131 . . . . 0.0 109.19 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.79 -40.53 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.801 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.08 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.53 -30.03 68.74 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.733 -0.605 . . . . 0.0 109.46 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -71.31 -39.09 71.65 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.321 -0.862 . . . . 0.0 109.165 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.5 t -73.71 111.68 9.08 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.284 -0.885 . . . . 0.0 109.01 178.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.81 -40.19 91.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 110.274 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.73 -39.92 86.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.425 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 62.1 m -76.49 -32.35 58.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.888 -1.132 . . . . 0.0 109.819 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.446 HE21 ' HG3' ' B' ' 44' ' ' GLN . 50.2 tt0 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.342 -0.848 . . . . 0.0 110.486 -178.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.421 0.629 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.43 -41.0 96.5 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.472 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.07 -42.79 95.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 110.753 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -34.02 88.79 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.24 -40.45 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -1.083 . . . . 0.0 110.19 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.39 -49.52 77.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.591 -1.318 . . . . 0.0 109.895 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.57 -40.51 92.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 0.0 109.854 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.71 66.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.656 -0.653 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.56 138.12 57.84 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.218 -0.926 . . . . 0.0 109.97 -178.657 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.8 -177.03 4.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.0 109.692 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 13' ' ' GLU . 67.3 mm-40 -62.33 150.07 40.46 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.288 -0.882 . . . . 0.0 109.325 -179.842 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 71.6 t60 -65.83 77.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.3 mm-40 -97.22 -165.42 1.26 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.513 -0.742 . . . . 0.0 109.656 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.08 -27.86 65.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.593 -0.692 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -58.33 -33.83 69.94 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.0 109.168 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -59.31 -40.81 87.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.675 -1.266 . . . . 0.0 108.589 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.437 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 59.7 p -59.87 -43.98 94.41 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.911 -1.118 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.437 ' N ' ' HG ' ' B' ' 17' ' ' SER . 32.7 m120 -93.31 92.07 7.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.938 -1.101 . . . . 0.0 109.599 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -72.01 -26.81 62.37 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 110.13 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.07 -39.54 90.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.11 -0.994 . . . . 0.0 109.435 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.58 96.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.105 -0.997 . . . . 0.0 109.707 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.6 ttm -62.62 -43.66 98.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.882 . . . . 0.0 110.042 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.59 -42.02 99.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.983 . . . . 0.0 109.732 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -68.92 -39.7 79.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.591 -0.693 . . . . 0.0 110.01 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.45 -40.97 96.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.139 -0.976 . . . . 0.0 109.684 -178.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.03 2.85 29.93 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.581 -0.699 . . . . 0.0 110.177 -179.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.2 m120 52.89 46.2 27.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.149 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -115.81 150.23 44.54 Favored Pre-proline 0 N--CA 1.502 2.147 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.6 Cg_endo -66.8 146.73 79.34 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.746 1.631 . . . . 0.0 111.806 -179.574 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -39.74 -21.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.252 1.968 . . . . 0.0 112.356 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.8 t -58.07 -55.6 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.164 -0.96 . . . . 0.0 110.076 -178.411 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.45 -41.6 91.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.021 -1.049 . . . . 0.0 109.221 -179.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.41 86.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.046 -1.034 . . . . 0.0 109.758 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.5 -39.33 91.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.888 -1.132 . . . . 0.0 110.106 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.71 -40.88 93.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.114 . . . . 0.0 108.988 -179.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.42 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.198 -0.939 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.54 -40.21 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.367 -0.833 . . . . 0.0 108.757 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.23 69.0 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.722 -0.612 . . . . 0.0 109.523 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -71.73 -39.68 69.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.455 -0.778 . . . . 0.0 109.36 -179.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.66 111.24 8.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.108 -0.995 . . . . 0.0 108.445 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -60.0 -39.82 87.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.343 -0.848 . . . . 0.0 110.495 -179.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.07 -39.63 86.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 110.303 -178.044 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.53 -32.53 58.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.025 -1.047 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.446 ' HG3' HE21 ' A' ' 44' ' ' GLN . 9.9 tt0 . . . . . 0 N--CA 1.487 1.425 0 O-C-N 121.518 -0.739 . . . . 0.0 110.439 -178.337 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.21 -41.54 98.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.42 -0.8 . . . . 0.0 110.593 -179.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.37 -41.83 96.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.114 -0.991 . . . . 0.0 110.082 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -36.56 93.58 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' GLN . 74.7 mt -68.01 -40.12 82.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.586 -0.949 . . . . 0.0 110.299 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -59.79 -45.89 90.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.052 -1.03 . . . . 0.0 109.699 -179.155 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.72 -40.88 75.96 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.054 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.479 -0.763 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.4 tt0 -62.27 138.84 58.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.995 -1.066 . . . . 0.0 109.693 -178.26 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -165.0 -175.09 3.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.011 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 159.73 15.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.11 -0.994 . . . . 0.0 109.614 -179.731 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.497 ' ND1' ' SG ' ' A' ' 43' ' ' CYS . 74.3 t60 -71.74 86.85 0.95 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.1 -179.354 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -101.13 -166.64 1.33 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.397 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -70.26 -25.81 63.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.377 -0.827 . . . . 0.0 108.849 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.96 -34.41 73.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.643 -0.661 . . . . 0.0 109.866 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -58.82 -39.12 80.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.885 -1.135 . . . . 0.0 108.985 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 85.8 p -60.37 -43.79 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.858 -1.151 . . . . 0.0 109.705 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.516 ' N ' ' HG ' ' A' ' 17' ' ' SER . 29.8 m120 -94.49 90.84 6.35 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.022 -1.049 . . . . 0.0 109.261 179.706 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -71.4 -22.82 61.81 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.697 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -63.64 -39.82 95.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.164 -178.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.11 94.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 ttm -62.46 -45.83 91.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.786 -179.617 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.47 -41.86 98.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 109.587 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -65.61 -40.37 92.54 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.138 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -64.24 -40.12 95.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 110.881 -179.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.29 1.43 38.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.25 -0.906 . . . . 0.0 110.319 -179.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.48 49.06 20.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -117.68 152.58 49.97 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 150.91 68.73 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.04 1.827 . . . . 0.0 111.488 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -44.25 -20.65 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.88 1.72 . . . . 0.0 112.402 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.06 -50.19 81.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.67 -44.42 82.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 120.773 -1.204 . . . . 0.0 109.314 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.42 96.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.258 -0.901 . . . . 0.0 109.948 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -65.29 -40.21 93.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.953 -1.092 . . . . 0.0 109.804 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.16 -41.46 96.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.899 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.96 -40.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.996 -1.065 . . . . 0.0 109.563 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.84 -39.83 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.202 -0.936 . . . . 0.0 108.88 179.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -27.8 67.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.915 -179.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -72.6 -36.96 68.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.082 -1.011 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -72.81 114.9 11.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.0 109.135 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.32 -40.09 92.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.297 -0.877 . . . . 0.0 110.668 -179.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.54 -40.33 86.86 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 110.011 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.497 ' SG ' ' ND1' ' A' ' 12' ' ' HIS . 33.9 m -78.07 -34.17 50.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.09 -1.006 . . . . 0.0 110.431 -179.398 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.363 -0.835 . . . . 0.0 111.366 -178.042 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.09 -40.54 94.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.5 -0.75 . . . . 0.0 110.605 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -66.08 -41.31 90.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 -179.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -35.45 92.02 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.3 -39.96 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.462 -1.023 . . . . 0.0 110.264 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -60.07 -45.41 92.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.181 -0.949 . . . . 0.0 109.75 -179.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -69.83 -40.82 75.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.806 -1.184 . . . . 0.0 108.928 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.62 -37.02 73.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.447 -0.783 . . . . 0.0 110.774 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.86 139.44 58.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.55 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -166.01 -175.07 3.22 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.39 -0.819 . . . . 0.0 108.85 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 158.16 23.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.18 -0.95 . . . . 0.0 109.778 -179.706 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.532 ' ND1' ' SG ' ' B' ' 43' ' ' CYS . 72.8 t60 -71.09 84.92 0.72 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.269 -0.894 . . . . 0.0 110.317 -178.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -99.66 -165.57 1.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.457 -0.777 . . . . 0.0 109.511 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -70.84 -26.38 63.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.367 -0.833 . . . . 0.0 109.373 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -58.99 -33.58 70.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.261 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -59.65 -38.28 81.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 108.993 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.483 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 93.1 p -61.4 -43.46 98.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.954 -1.091 . . . . 0.0 109.534 179.59 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . 0.483 ' N ' ' HG ' ' B' ' 17' ' ' SER . 26.0 m120 -94.48 88.56 5.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.442 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -69.91 -23.99 63.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.994 -1.066 . . . . 0.0 109.773 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -62.35 -40.14 95.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.995 -1.066 . . . . 0.0 110.082 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.24 91.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.962 -1.086 . . . . 0.0 109.528 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.7 ttm -63.58 -45.2 91.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.659 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.19 -42.47 99.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.523 -179.603 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.2 m -65.6 -40.33 92.55 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.528 -0.732 . . . . 0.0 110.458 -179.197 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 110.495 -178.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -101.18 0.72 38.12 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.334 -0.854 . . . . 0.0 110.423 -178.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.9 m120 54.07 49.65 18.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.259 -0.901 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.7 152.16 50.97 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.64 151.06 75.12 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.865 1.71 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -44.81 -20.08 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.794 1.662 . . . . 0.0 112.392 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -59.32 -50.54 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.763 -1.211 . . . . 0.0 110.636 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.78 -44.47 85.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.449 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.75 96.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.83 -40.14 95.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 109.654 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.78 -41.09 97.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.095 -1.003 . . . . 0.0 110.06 -179.582 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 HG22 ' B' ' 36' ' ' ILE . 91.5 mt -64.29 -40.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.14 -0.975 . . . . 0.0 109.389 -179.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.12 -39.8 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 108.927 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -26.56 65.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.496 -0.753 . . . . 0.0 109.738 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -74.33 -34.63 63.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 0.0 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.54 113.73 13.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.92 -1.113 . . . . 0.0 108.95 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.99 -39.7 90.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.243 -0.911 . . . . 0.0 110.528 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.033 -1.042 . . . . 0.0 109.748 -179.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.532 ' SG ' ' ND1' ' B' ' 12' ' ' HIS . 34.6 m -77.74 -35.4 51.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 110.181 -179.243 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.498 1.926 0 O-C-N 121.432 -0.793 . . . . 0.0 111.497 -178.151 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 32.5 m-85 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.499 0.666 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.98 -40.33 93.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.579 -0.701 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.45 -41.14 96.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.755 -178.561 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -33.48 86.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 5' ' ' ILE . 70.8 mt -68.59 -40.43 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.247 -1.149 . . . . 0.0 110.48 -179.462 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.76 -47.4 85.82 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.262 -178.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.53 -40.8 76.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 109.663 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -28.46 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 -179.395 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.24 138.69 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.369 -0.832 . . . . 0.0 109.588 -178.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -164.66 165.67 20.73 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 108.835 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 56.0 mp0 -58.49 161.97 4.12 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.127 -0.983 . . . . 0.0 109.168 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -69.47 70.46 0.28 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.192 -0.942 . . . . 0.0 109.219 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.1 mm-40 -88.98 -161.01 0.72 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.583 0.706 . . . . 0.0 109.673 -179.577 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -70.02 -28.42 65.47 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.561 -0.712 . . . . 0.0 109.398 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -59.95 -36.42 77.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.831 . . . . 0.0 109.869 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -60.11 -40.19 88.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.91 -1.119 . . . . 0.0 109.919 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -60.94 -41.64 96.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.585 -1.322 . . . . 0.0 109.533 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -95.45 87.58 4.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.124 -0.985 . . . . 0.0 109.007 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 p-90 -70.12 -28.45 65.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -60.92 -39.45 89.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.935 -1.103 . . . . 0.0 109.492 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.36 90.99 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 109.531 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.0 ttm -59.76 -46.24 89.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.867 . . . . 0.0 110.168 -179.544 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.34 99.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.151 -0.968 . . . . 0.0 109.808 -179.509 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -69.19 -39.87 78.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 109.808 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.58 -40.62 92.41 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.391 -0.818 . . . . 0.0 110.115 -178.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -103.85 4.17 34.65 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.31 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 55.47 45.72 24.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.498 -0.752 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.68 150.18 47.77 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' VAL . 36.8 Cg_endo -65.68 148.97 87.49 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.474 1.45 . . . . 0.0 111.289 -179.794 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.41 -20.56 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.585 2.19 . . . . 0.0 112.942 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 95.2 t -59.67 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.017 -1.052 . . . . 0.0 110.998 -177.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.99 -42.89 89.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 119.096 -1.042 . . . . 0.0 109.412 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.33 92.5 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.421 -0.8 . . . . 0.0 109.892 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.79 -40.28 96.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.947 -1.095 . . . . 0.0 109.72 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.71 -41.59 95.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.113 -0.992 . . . . 0.0 109.748 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -66.11 -41.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.039 -1.038 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.53 -39.71 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -28.69 67.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.533 -0.73 . . . . 0.0 110.534 -179.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -74.99 -30.94 61.3 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.311 -0.868 . . . . 0.0 109.837 -178.647 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 t -74.28 118.24 17.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 108.965 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.87 -40.02 93.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.46 -0.775 . . . . 0.0 110.487 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.89 -39.73 86.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.209 -0.932 . . . . 0.0 110.048 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -72.31 -40.99 67.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.613 -0.679 . . . . 0.0 110.541 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.298 -1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 110.58 -177.933 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 34.5 m-85 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.498 0.666 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.84 -40.28 92.24 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.335 -179.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.24 -39.8 95.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.462 -0.774 . . . . 0.0 111.036 -178.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 -32.77 84.24 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.416 HD11 HG22 ' B' ' 5' ' ' ILE . 73.4 mt -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -1.045 . . . . 0.0 110.329 -179.678 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.26 -48.46 81.65 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 109.476 -178.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.91 . . . . 0.0 109.556 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.72 65.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 110.062 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.99 139.72 56.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -178.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -165.72 167.08 17.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.447 -0.783 . . . . 0.0 109.258 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' B' ' 13' ' ' GLU . 49.8 mp0 -59.9 157.58 12.24 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.586 -179.44 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.2 t60 -65.23 71.31 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.347 -0.846 . . . . 0.0 109.107 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' GLU . 52.9 mm-40 -90.49 -161.39 0.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.411 -0.806 . . . . 0.0 109.81 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.08 -28.16 66.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.461 -0.774 . . . . 0.0 109.333 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.06 -36.45 77.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.313 -0.867 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -60.33 -40.27 90.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.745 -1.222 . . . . 0.0 109.805 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 p -60.33 -41.47 93.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 109.213 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.01 88.79 4.99 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.479 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -70.79 -27.66 64.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.199 -0.938 . . . . 0.0 110.736 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -61.61 -40.11 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.02 -1.05 . . . . 0.0 109.357 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.03 91.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.622 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.76 -47.52 85.36 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.27 -0.894 . . . . 0.0 109.874 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.72 97.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.601 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.5 t -69.52 -39.94 77.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.889 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.49 -40.03 89.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 -178.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.76 3.87 34.56 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 -179.133 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 55.84 45.87 23.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.7 mt -119.25 149.58 47.59 Favored Pre-proline 0 N--CA 1.498 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' VAL . 35.5 Cg_endo -66.13 149.85 85.43 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.633 1.555 . . . . 0.0 111.386 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.98 -20.77 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.736 2.291 . . . . 0.0 112.787 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 29' ' ' PRO . 99.2 t -59.52 -50.34 80.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.012 -1.055 . . . . 0.0 110.614 -177.87 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.43 -42.8 87.65 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.076 -1.015 . . . . 0.0 109.266 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.65 90.87 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.922 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.23 -40.33 97.16 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.808 -1.182 . . . . 0.0 110.023 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -60.84 -40.43 92.81 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.051 -1.031 . . . . 0.0 109.878 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -67.42 -41.13 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.239 -0.913 . . . . 0.0 108.987 -179.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.07 -39.2 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.103 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.5 67.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.458 -0.776 . . . . 0.0 110.265 -179.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.1 m -74.7 -30.84 61.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.962 -1.086 . . . . 0.0 109.713 -179.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -74.83 117.54 16.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.897 -1.127 . . . . 0.0 109.145 179.864 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.91 -40.0 91.5 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.91 -38.52 82.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 0.0 110.466 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.01 -39.51 63.56 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.397 -0.814 . . . . 0.0 110.331 -178.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.372 -0.83 . . . . 0.0 110.71 -177.941 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 62.6 m-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.46 -39.84 95.54 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.22 -0.925 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.12 -43.39 87.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.387 -0.821 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.16 -35.51 92.18 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.374 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.26 -39.84 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.139 -1.212 . . . . 0.0 110.856 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.72 -45.14 93.06 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 109.06 -178.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.41 -40.57 77.25 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.022 -1.049 . . . . 0.0 110.268 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.04 66.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.416 -0.803 . . . . 0.0 110.575 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.32 140.33 58.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 108.908 -179.216 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -170.86 169.47 6.82 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.994 0.902 . . . . 0.0 110.269 -179.293 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.01 149.77 3.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.773 0.797 . . . . 0.0 110.608 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.8 81.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.671 0.748 . . . . 0.0 110.012 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -100.82 -163.0 0.98 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.544 -0.723 . . . . 0.0 109.543 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' OG ' ' A' ' 17' ' ' SER . 71.7 mmtt -70.22 -25.32 63.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.422 -0.799 . . . . 0.0 109.435 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.685 -0.635 . . . . 0.0 109.562 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.25 -0.906 . . . . 0.0 108.808 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 89.3 p -60.81 -44.65 96.6 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.291 179.247 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -92.62 87.99 6.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.175 -0.953 . . . . 0.0 109.151 178.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -70.9 -27.95 64.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.27 -0.894 . . . . 0.0 109.714 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -41.12 90.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.924 . . . . 0.0 109.577 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.0 ttm -61.31 -48.71 80.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.345 -0.847 . . . . 0.0 110.284 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.13 -41.0 99.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -67.13 -40.03 86.73 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.007 -1.058 . . . . 0.0 109.428 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -61.9 -40.32 95.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 110.477 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -101.71 -2.77 29.47 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 110.134 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.2 m-20 54.27 48.43 20.8 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.0 110.733 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -119.05 146.12 39.64 Favored Pre-proline 0 N--CA 1.504 2.244 0 O-C-N 121.259 -0.901 . . . . 0.0 108.876 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' VAL . 75.2 Cg_exo -47.89 139.49 19.6 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.747 1.631 . . . . 0.0 111.262 178.408 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -42.16 -15.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.327 2.018 . . . . 0.0 111.516 179.097 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.6 t -60.01 -49.87 82.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.666 -0.647 . . . . 0.0 110.976 -177.827 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.97 -44.92 92.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.017 -1.052 . . . . 0.0 108.956 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.77 91.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 110.115 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.89 -39.86 95.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.813 -1.179 . . . . 0.0 110.672 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.703 -1.248 . . . . 0.0 109.63 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.85 -40.1 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.285 -0.884 . . . . 0.0 109.235 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.77 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.03 78.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.751 -0.593 . . . . 0.0 110.428 -179.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -71.88 -30.33 65.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.09 -1.006 . . . . 0.0 110.145 -178.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -72.93 111.64 8.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.209 -0.932 . . . . 0.0 108.566 179.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.11 -40.35 89.39 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.071 -1.018 . . . . 0.0 110.769 -178.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -59.64 -39.47 84.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.453 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.07 -39.84 60.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.022 . . . . 0.0 110.115 -178.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.506 HE21 ' CG ' ' B' ' 44' ' ' GLN . 37.7 tt0 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.581 -0.699 . . . . 0.0 111.095 -177.679 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 61.9 m-85 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.21 -40.54 96.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.339 -0.851 . . . . 0.0 110.317 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -65.47 -40.51 93.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.326 -179.111 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.72 -34.17 86.56 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.05 -39.83 82.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.819 -0.813 . . . . 0.0 110.993 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.92 -45.58 92.12 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.786 -1.196 . . . . 0.0 109.1 -178.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.77 -40.38 76.11 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.82 68.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.146 -0.971 . . . . 0.0 110.35 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.14 140.42 57.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -170.16 169.27 7.95 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 109.986 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.1 152.4 2.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.324 -0.86 . . . . 0.0 110.634 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -67.07 80.37 0.12 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -99.92 -162.72 0.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' B' ' 17' ' ' SER . 71.8 mmtt -70.37 -26.96 63.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 0.0 109.378 -179.614 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.38 -37.11 77.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 -179.404 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -60.04 -40.05 88.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.81 -1.182 . . . . 0.0 109.432 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 93.6 p -60.95 -41.33 96.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.783 -1.198 . . . . 0.0 108.736 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -96.3 85.43 3.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.554 -0.716 . . . . 0.0 109.403 179.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -69.93 -26.6 64.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.153 -0.967 . . . . 0.0 110.635 -179.691 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.86 92.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.012 -1.055 . . . . 0.0 110.334 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.15 92.59 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.849 -1.157 . . . . 0.0 109.451 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.4 ttm -60.13 -47.32 86.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.035 -1.041 . . . . 0.0 110.105 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.62 -41.1 98.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.419 -0.8 . . . . 0.0 109.582 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -68.47 -39.45 81.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.281 -0.887 . . . . 0.0 109.363 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.24 -40.35 95.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 110.09 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.69 -3.85 27.52 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.382 -0.823 . . . . 0.0 110.153 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 2.2 m-20 55.99 48.66 17.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.62 145.61 39.53 Favored Pre-proline 0 N--CA 1.501 2.087 0 O-C-N 121.359 -0.838 . . . . 0.0 109.072 179.177 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 31' ' ' VAL . 72.9 Cg_exo -47.82 139.29 19.51 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.619 1.546 . . . . 0.0 111.701 178.454 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.61 -17.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.28 1.987 . . . . 0.0 111.744 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 29' ' ' PRO . 59.2 t -58.99 -49.33 83.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.664 -0.648 . . . . 0.0 110.749 -178.322 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.87 -43.12 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.009 -1.057 . . . . 0.0 109.428 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.3 87.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.444 -0.785 . . . . 0.0 109.802 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.06 -40.03 96.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.025 -1.047 . . . . 0.0 110.338 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -61.09 -40.44 93.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.836 -1.165 . . . . 0.0 109.417 -179.464 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.79 -40.68 88.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 109.171 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.35 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.62 70.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.704 -0.622 . . . . 0.0 110.223 -179.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -74.16 -30.3 62.19 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.695 -1.253 . . . . 0.0 109.708 -178.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.48 111.34 8.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 108.613 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.88 -40.48 88.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 110.17 -178.863 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.11 -40.24 89.01 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.044 -1.035 . . . . 0.0 110.131 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.6 m -74.28 -39.94 62.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.745 -1.222 . . . . 0.0 110.493 -179.253 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.506 ' CG ' HE21 ' A' ' 44' ' ' GLN . 21.8 tt0 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.835 . . . . 0.0 110.951 -177.592 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.431 0.634 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.53 -40.13 90.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.2 -40.69 98.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.203 -0.936 . . . . 0.0 110.234 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.43 98.03 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -65.73 -40.07 86.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.79 -0.83 . . . . 0.0 110.41 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.01 -48.38 81.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.067 . . . . 0.0 110.039 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -68.97 -40.05 79.1 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.945 -1.097 . . . . 0.0 109.387 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.87 65.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.85 . . . . 0.0 109.61 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.84 139.65 58.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.0 109.265 -179.216 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 2.8 tp10 -168.75 -170.03 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 13.0 pt-20 -73.58 161.49 30.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.98 -1.075 . . . . 0.0 109.618 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.64 79.61 0.82 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 109.615 -179.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -101.53 -151.44 0.41 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.397 -0.815 . . . . 0.0 109.998 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.06 -34.11 72.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 109.828 -179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.801 -179.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.22 -40.74 91.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.943 -1.098 . . . . 0.0 109.382 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -62.53 -45.38 93.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.985 -1.072 . . . . 0.0 108.94 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.77 88.63 4.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.384 -0.823 . . . . 0.0 109.311 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -69.94 -28.28 65.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.088 -1.008 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.117 -0.99 . . . . 0.0 109.301 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -61.79 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 0.0 110.15 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.31 99.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.028 -1.045 . . . . 0.0 110.095 -179.269 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -69.44 -39.95 77.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 110.147 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.86 -39.99 91.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.203 -0.936 . . . . 0.0 110.144 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.01 1.44 42.49 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.311 -0.868 . . . . 0.0 109.956 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.96 43.43 27.3 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.36 -0.837 . . . . 0.0 110.255 179.337 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.12 152.38 47.7 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.77 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.5 Cg_endo -70.6 149.8 62.07 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.538 1.492 . . . . 0.0 111.058 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.65 -17.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.015 1.81 . . . . 0.0 112.067 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.2 t -59.87 -50.07 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.138 -0.976 . . . . 0.0 110.606 -178.324 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.53 -43.22 83.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.792 -1.193 . . . . 0.0 109.317 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.99 94.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.29 -40.0 92.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.019 -1.051 . . . . 0.0 110.182 179.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.15 -40.25 89.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.98 -1.075 . . . . 0.0 109.912 -179.31 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.7 -40.0 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.095 -1.003 . . . . 0.0 108.75 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.11 -40.03 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.04 76.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.47 -0.769 . . . . 0.0 109.472 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -73.67 -40.17 63.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 110.447 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.14 113.38 16.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.006 -1.059 . . . . 0.0 108.962 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.13 -39.98 88.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 0.0 110.476 -179.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.39 -39.94 89.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 110.427 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -75.18 -36.31 61.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.97 -1.081 . . . . 0.0 109.922 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.872 HE21 ' CG ' ' B' ' 44' ' ' GLN . 56.0 tt0 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.423 -0.798 . . . . 0.0 110.652 -178.25 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.381 0.61 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.14 90.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 109.818 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.15 -40.71 98.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.285 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.4 98.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.69 -40.0 86.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.796 -0.826 . . . . 0.0 110.41 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.06 -48.44 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.057 . . . . 0.0 110.04 -179.106 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.02 -39.96 78.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.918 -1.114 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.05 -28.89 65.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.856 . . . . 0.0 109.685 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.79 139.54 58.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.247 -179.28 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 2.8 tp10 -168.65 -170.06 1.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 13.0 pt-20 -73.64 161.47 30.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.7 -179.678 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -71.58 79.48 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.655 -179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -101.37 -151.44 0.41 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.336 -0.852 . . . . 0.0 109.976 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.98 -34.31 73.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.752 . . . . 0.0 109.849 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -59.93 -39.96 87.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 109.767 -179.112 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.36 -40.9 92.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.007 -1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.29 -45.48 93.06 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.945 -1.097 . . . . 0.0 108.992 179.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -98.81 88.77 4.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.425 -0.797 . . . . 0.0 109.257 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -70.0 -28.3 65.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.53 -39.97 89.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.029 -179.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -61.85 -43.46 98.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.14 -179.708 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.34 99.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.051 -1.031 . . . . 0.0 110.115 -179.284 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.2 t -69.35 -39.98 77.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.229 -0.919 . . . . 0.0 110.196 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.8 -40.07 91.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 110.142 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -99.99 1.42 42.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 -179.451 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 m120 55.89 43.56 27.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.442 -0.786 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -116.26 152.39 47.87 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.3 Cg_endo -70.59 149.75 62.08 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.574 1.516 . . . . 0.0 111.118 179.749 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.57 -17.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.124 1.882 . . . . 0.0 111.964 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 29' ' ' PRO . 58.7 t -60.03 -49.99 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.116 -0.99 . . . . 0.0 110.615 -178.224 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.56 -43.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 120.833 -1.167 . . . . 0.0 109.343 -179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.98 94.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 109.605 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.35 -40.07 92.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.98 -1.075 . . . . 0.0 110.082 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.15 -40.17 88.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.037 -1.039 . . . . 0.0 110.013 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.63 -40.09 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.067 -1.02 . . . . 0.0 108.599 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.23 -39.95 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.474 -0.766 . . . . 0.0 108.965 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.27 -33.88 76.23 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.543 -0.723 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -73.77 -39.96 63.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.139 -0.976 . . . . 0.0 110.428 -179.174 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -78.17 113.25 15.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 0.0 108.958 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -60.08 -40.06 88.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.451 -179.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.31 -39.99 88.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.958 . . . . 0.0 110.384 -179.026 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.29 -36.15 61.2 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 109.94 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.872 ' CG ' HE21 ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.395 -0.816 . . . . 0.0 110.696 -178.314 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.588 0.708 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 mt -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.456 -0.778 . . . . 0.0 110.031 -179.313 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.25 -41.28 99.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.93 -1.106 . . . . 0.0 109.659 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.79 -38.08 95.63 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.13 -40.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.792 -0.828 . . . . 0.0 110.298 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -60.15 -46.12 90.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 110.217 -178.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -44.33 81.27 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.34 75.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.0 110.369 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.36 123.86 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 110.049 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.31 -164.92 2.13 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 154.78 41.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.932 -1.105 . . . . 0.0 108.985 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.9 t60 -63.3 82.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.91 . . . . 0.0 110.318 -178.606 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -91.33 -172.43 3.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.621 -0.674 . . . . 0.0 109.27 179.578 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.8 -26.63 65.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.469 -0.769 . . . . 0.0 109.129 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -59.59 -33.54 71.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.35 -0.844 . . . . 0.0 109.506 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.93 -40.42 88.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.065 -1.022 . . . . 0.0 109.013 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -60.05 -44.03 94.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.924 -1.11 . . . . 0.0 108.812 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.22 92.53 7.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.37 -27.3 64.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.193 -0.942 . . . . 0.0 110.011 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.02 -40.17 92.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.218 -0.926 . . . . 0.0 110.161 -179.054 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.6 ttm -63.31 -42.18 98.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.856 . . . . 0.0 109.564 -179.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.17 -43.67 94.41 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -68.52 -40.18 80.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.269 -0.895 . . . . 0.0 110.104 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.157 -0.964 . . . . 0.0 110.22 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -101.88 0.05 34.85 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.475 -0.765 . . . . 0.0 109.902 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' ALA . 96.9 m-20 54.61 47.34 22.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.143 179.639 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.2 mt -119.23 150.29 48.94 Favored Pre-proline 0 N--CA 1.5 2.064 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.22 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.65 160.77 48.05 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.769 1.646 . . . . 0.0 111.158 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.9 -19.76 8.87 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.479 2.119 . . . . 0.0 111.797 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.88 -50.53 79.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.987 -1.07 . . . . 0.0 110.38 -178.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.97 -46.83 78.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.99 98.34 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 110.123 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -63.69 -39.82 95.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.704 -1.247 . . . . 0.0 109.584 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -60.46 -41.58 94.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.987 -1.071 . . . . 0.0 109.833 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.23 -40.16 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 108.632 179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -39.8 83.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.21 80.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.671 -0.643 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -71.93 -39.82 69.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.123 -0.985 . . . . 0.0 110.478 -178.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.1 114.06 13.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.885 -1.134 . . . . 0.0 108.288 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.14 -40.25 89.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.213 -178.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -60.0 -40.11 88.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.088 -1.007 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 11.7 m -79.72 -37.24 36.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.35 -0.844 . . . . 0.0 111.378 -178.099 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.645 0.736 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.5 mt -59.99 -40.43 89.15 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.558 -0.713 . . . . 0.0 110.078 -179.524 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.44 -40.53 97.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.83 -1.169 . . . . 0.0 109.68 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.9 95.15 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 179.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.1 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.723 -0.869 . . . . 0.0 110.726 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -60.43 -45.24 94.36 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.789 -1.194 . . . . 0.0 110.328 -178.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.5 -43.71 80.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.623 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.81 74.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.596 -0.69 . . . . 0.0 110.244 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.19 124.42 20.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.01 . . . . 0.0 109.88 -178.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -148.54 -165.03 2.16 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 155.79 40.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 108.874 179.512 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -64.43 81.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.331 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -90.58 -172.77 3.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.372 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -68.48 -27.44 66.15 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -58.95 -33.43 70.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.317 -0.865 . . . . 0.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -59.9 -40.33 88.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.891 -1.13 . . . . 0.0 109.058 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -59.99 -43.83 94.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.801 -1.187 . . . . 0.0 108.606 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.44 92.58 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.36 -26.68 63.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.902 -1.124 . . . . 0.0 110.093 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.78 -40.4 95.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 -179.034 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.6 89.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.002 -1.061 . . . . 0.0 109.761 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttm -62.86 -42.58 99.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.58 -43.96 95.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.535 -0.728 . . . . 0.0 109.929 -179.539 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.5 t -69.0 -39.83 79.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.432 -0.793 . . . . 0.0 110.113 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -62.41 -40.0 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.736 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 -0.0 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.306 -0.871 . . . . 0.0 110.042 -179.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.1 m-20 55.04 47.09 22.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.346 -0.846 . . . . 0.0 110.09 179.568 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.5 150.74 50.44 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.75 161.24 46.25 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 121.57 1.513 . . . . 0.0 111.069 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.24 -19.69 9.75 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.384 2.056 . . . . 0.0 111.63 -179.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.71 -50.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.819 -1.176 . . . . 0.0 110.308 -178.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.92 -45.71 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.011 -1.055 . . . . 0.0 109.509 -179.564 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.37 95.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -63.99 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.906 -1.121 . . . . 0.0 109.492 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.98 -41.97 93.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.016 . . . . 0.0 110.056 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.0 -40.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.116 -0.99 . . . . 0.0 108.638 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.06 -39.85 83.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.63 81.83 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.773 -0.579 . . . . 0.0 109.94 179.676 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -72.0 -40.16 68.73 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.085 -1.009 . . . . 0.0 110.411 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.8 113.57 12.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.721 -1.237 . . . . 0.0 108.319 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.05 -40.23 88.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.4 -0.813 . . . . 0.0 110.25 -178.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -60.29 -39.78 88.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.908 -1.12 . . . . 0.0 109.243 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 m -79.38 -38.36 35.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 110.07 179.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.17 -0.956 . . . . 0.0 111.311 -177.926 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.436 0.636 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.8 mt -59.85 -40.1 87.4 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.476 -0.765 . . . . 0.0 110.104 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.36 -40.39 95.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 110.398 -179.369 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.0 95.08 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.15 -39.32 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.742 -0.857 . . . . 0.0 110.032 179.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.074 -1.016 . . . . 0.0 110.368 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.05 -40.15 78.72 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.94 -1.1 . . . . 0.0 109.016 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.58 72.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.281 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.15 133.96 53.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 0.0 109.748 -179.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.85 -164.93 2.07 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.307 -0.871 . . . . 0.0 109.113 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -77.53 153.51 33.32 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.161 -0.962 . . . . 0.0 109.021 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -71.1 70.39 0.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.524 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.92 -150.97 0.41 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.628 -0.67 . . . . 0.0 109.313 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.06 -30.25 67.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.067 -1.021 . . . . 0.0 110.517 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -60.15 -38.39 83.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.896 -1.128 . . . . 0.0 109.95 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.931 -1.106 . . . . 0.0 109.365 -179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -61.88 -42.55 99.2 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.185 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -96.24 83.64 3.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -69.92 -25.2 63.56 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 109.156 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.79 -40.15 91.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.105 -0.997 . . . . 0.0 110.087 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.78 93.08 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.097 -1.002 . . . . 0.0 109.098 179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.6 ttp -64.61 -40.75 96.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.477 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.16 94.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.196 -0.94 . . . . 0.0 109.104 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.5 m -68.75 -39.79 80.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.483 -0.761 . . . . 0.0 110.54 -179.532 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 110.499 -178.883 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -100.56 1.24 40.71 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.286 -0.884 . . . . 0.0 109.883 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 55.38 47.25 21.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.381 -0.824 . . . . 0.0 109.696 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.96 149.95 46.37 Favored Pre-proline 0 N--CA 1.498 1.94 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.32 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.2 Cg_endo -70.5 148.85 61.16 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.683 1.589 . . . . 0.0 111.561 179.742 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -38.85 -25.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.367 179.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 66.5 t -53.07 -57.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.653 -0.654 . . . . 0.0 110.505 -178.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.36 -42.15 94.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.21 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.13 92.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.143 -0.973 . . . . 0.0 109.741 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.49 -39.76 88.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 110.208 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.24 -40.84 91.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.176 . . . . 0.0 109.267 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.56 -41.33 89.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.11 -40.28 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.52 80.58 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.666 -0.646 . . . . 0.0 109.538 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -72.29 -37.44 68.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.258 -0.901 . . . . 0.0 109.446 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.79 110.64 8.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.884 -1.135 . . . . 0.0 108.836 179.64 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.95 -40.54 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 110.367 -179.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -60.44 -40.71 92.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.515 -0.741 . . . . 0.0 110.357 -178.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.6 m -76.81 -31.03 56.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.965 -1.085 . . . . 0.0 109.908 -179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.845 . . . . 0.0 109.964 -179.357 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.355 0.598 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.03 -40.37 89.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.474 -0.766 . . . . 0.0 109.851 -178.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -63.36 -41.06 98.8 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -0.879 . . . . 0.0 110.355 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.55 94.69 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' B' ' 9' ' ' GLN . 73.3 mt -64.37 -39.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.547 -0.972 . . . . 0.0 109.904 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.076 -1.015 . . . . 0.0 110.451 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -68.31 -40.58 81.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.038 . . . . 0.0 108.855 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -33.54 73.23 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.557 -0.714 . . . . 0.0 110.225 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 5' ' ' ILE . 62.8 tt0 -64.26 133.96 53.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 109.816 -179.264 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.56 -165.0 2.07 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.202 -0.936 . . . . 0.0 109.085 179.689 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -77.08 156.93 31.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.327 -0.858 . . . . 0.0 109.058 179.595 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.05 69.98 1.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.511 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.62 -151.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' B' ' 17' ' ' SER . 68.3 mttm -70.17 -30.28 67.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.01 -1.056 . . . . 0.0 110.473 -179.868 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -60.28 -38.3 83.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.072 -1.017 . . . . 0.0 109.776 -179.059 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -59.86 -40.37 88.38 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.08 -1.012 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 80.4 p -61.44 -41.75 97.68 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.992 -1.068 . . . . 0.0 108.408 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -97.14 83.2 3.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.384 -0.823 . . . . 0.0 108.866 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -69.82 -24.11 63.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.948 -1.095 . . . . 0.0 109.661 -179.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.79 -39.99 93.65 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.963 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.091 -1.006 . . . . 0.0 108.732 179.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.6 ttp -63.88 -40.29 96.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.051 -1.031 . . . . 0.0 109.439 179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.78 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.123 -0.986 . . . . 0.0 109.168 179.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.24 -39.87 78.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 110.563 -179.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.72 -40.04 93.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.69 -178.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.25 1.57 41.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.237 -0.914 . . . . 0.0 109.878 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 55.96 45.35 24.04 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.861 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -116.06 150.07 44.49 Favored Pre-proline 0 N--CA 1.503 2.179 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.478 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.4 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.6 1.533 . . . . 0.0 111.614 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.94 -25.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.614 2.21 . . . . 0.0 111.968 179.583 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -52.85 -56.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 110.683 -178.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.03 -41.3 91.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.003 -1.061 . . . . 0.0 109.848 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -60.9 -39.23 88.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.947 -1.096 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -60.35 -41.49 93.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 109.216 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.79 -41.49 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.69 -40.35 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.624 0.726 . . . . 0.0 109.059 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.78 -38.98 80.41 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.673 0.749 . . . . 0.0 109.673 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 m -72.58 -37.62 68.11 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 109.68 -179.547 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.1 111.51 9.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.958 -1.089 . . . . 0.0 109.03 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -60.45 -39.99 89.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.511 -0.743 . . . . 0.0 110.522 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.99 -39.97 91.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.916 . . . . 0.0 110.565 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.3 m -76.88 -32.13 57.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.146 -0.971 . . . . 0.0 109.741 -179.349 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.1 tt0 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.346 -0.846 . . . . 0.0 109.984 -179.402 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.379 0.609 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.6 -39.93 92.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 0.0 110.387 -179.177 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.16 -40.51 94.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.062 -1.024 . . . . 0.0 110.628 -178.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -39.52 96.35 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.8 mt -68.75 -40.04 80.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.778 -0.836 . . . . 0.0 110.576 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -49.35 78.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.032 -1.042 . . . . 0.0 110.051 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.68 -40.17 92.09 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.968 -1.083 . . . . 0.0 108.49 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 -27.79 64.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.556 -0.715 . . . . 0.0 110.209 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.7 tt0 -60.51 138.79 57.97 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.547 -178.839 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -172.99 166.91 5.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.41 165.64 1.45 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.906 -1.121 . . . . 0.0 109.756 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -72.86 92.87 1.64 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.228 -0.92 . . . . 0.0 110.266 -178.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -102.38 -162.57 0.93 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.601 -0.687 . . . . 0.0 109.829 179.755 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' OG ' ' A' ' 17' ' ' SER . 68.7 mttm -70.03 -30.68 68.02 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.771 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -60.29 -39.01 85.42 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.541 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.86 -39.72 86.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.19 -0.944 . . . . 0.0 109.225 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 95.0 p -60.11 -41.12 91.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.785 -1.197 . . . . 0.0 108.626 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -106.64 90.24 3.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.402 -0.811 . . . . 0.0 109.388 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -70.13 -25.92 63.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 0.0 109.544 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -60.72 -40.05 90.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.181 -0.95 . . . . 0.0 110.468 -179.409 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.25 95.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.98 -1.075 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.464 ' SD ' ' C ' ' A' ' 22' ' ' MET . 14.6 tmm? -63.54 -40.02 95.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.402 -0.811 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -42.27 96.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.116 -0.99 . . . . 0.0 109.33 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -67.65 -40.13 84.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.342 -0.849 . . . . 0.0 110.106 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -60.94 -39.93 91.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -98.4 0.04 44.59 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.382 -0.824 . . . . 0.0 109.142 179.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m120 54.81 47.31 22.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.627 -0.67 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -118.35 151.3 49.28 Favored Pre-proline 0 N--CA 1.504 2.246 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.171 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.6 Cg_endo -69.47 150.68 70.31 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.504 1.47 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.37 -21.35 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.098 1.865 . . . . 0.0 112.664 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.3 t -60.08 -49.88 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.935 -1.103 . . . . 0.0 111.211 -177.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.58 -40.71 82.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 108.853 -179.773 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.534 -0.729 . . . . 0.0 110.012 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.9 -37.72 83.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -41.36 91.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.765 -1.209 . . . . 0.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.22 -40.13 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.818 -1.176 . . . . 0.0 108.108 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.76 -40.01 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.45 0.643 . . . . 0.0 109.293 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.511 -0.743 . . . . 0.0 109.849 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -72.92 -40.0 65.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.919 . . . . 0.0 110.232 -179.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.83 112.82 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.057 -1.027 . . . . 0.0 109.179 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.31 -39.91 88.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.442 -0.786 . . . . 0.0 110.819 -179.167 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.76 -39.96 90.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 0.0 110.114 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.74 -27.91 55.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.091 -1.006 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.441 -0.787 . . . . 0.0 110.559 -177.917 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.374 0.607 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.55 -39.96 92.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.418 -0.801 . . . . 0.0 110.363 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -65.13 -40.38 94.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.098 -1.001 . . . . 0.0 110.797 -178.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.54 96.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 77.3 mt -68.7 -40.0 81.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.804 -0.821 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.92 -49.23 78.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.101 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.82 -39.95 91.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.003 -1.061 . . . . 0.0 108.405 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.4 63.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.608 -0.682 . . . . 0.0 110.339 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -60.89 138.53 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.955 -1.091 . . . . 0.0 109.675 -178.914 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -172.82 166.98 5.26 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.63 165.94 1.49 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.912 -1.118 . . . . 0.0 109.682 -179.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -73.01 92.6 1.67 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.208 -0.932 . . . . 0.0 110.329 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -102.06 -162.61 0.94 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.557 -0.714 . . . . 0.0 109.753 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . 0.424 ' O ' ' OG ' ' B' ' 17' ' ' SER . 68.6 mttm -69.8 -31.0 68.66 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.844 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -60.02 -38.83 83.84 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.094 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 91.9 p -59.98 -41.09 91.25 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.962 -1.095 . . . . 0.0 108.626 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -106.71 90.01 3.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.372 -0.83 . . . . 0.0 109.465 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.06 -25.59 63.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.038 -1.039 . . . . 0.0 109.727 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -61.06 -40.05 92.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.016 -1.053 . . . . 0.0 110.271 -179.389 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.15 95.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.041 -1.037 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' B' ' 22' ' ' MET . 14.6 tmm? -63.7 -40.01 95.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.82 . . . . 0.0 109.254 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.34 95.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.376 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.2 m -67.69 -39.92 84.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.277 -0.889 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.818 -179.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -98.3 -0.19 44.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.24 -0.913 . . . . 0.0 109.216 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m120 55.18 46.83 23.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.596 -0.69 . . . . 0.0 110.707 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -117.95 151.55 49.03 Favored Pre-proline 0 N--CA 1.502 2.148 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.67 150.82 69.27 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.541 1.494 . . . . 0.0 111.336 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -41.43 -21.45 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.148 1.899 . . . . 0.0 112.669 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.7 t -60.05 -50.06 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.915 -1.115 . . . . 0.0 111.27 -178.194 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.42 -40.89 82.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.824 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.17 96.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.528 -0.733 . . . . 0.0 110.05 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.8 -37.7 82.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 110.016 179.316 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.94 -41.33 91.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.834 -1.166 . . . . 0.0 109.429 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -40.07 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.817 -1.177 . . . . 0.0 108.049 179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.73 -40.02 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.507 0.67 . . . . 0.0 109.359 179.297 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.75 94.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 109.852 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -73.05 -39.95 65.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.928 . . . . 0.0 110.266 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.88 112.58 13.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.005 -1.059 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.07 -40.14 88.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.826 -179.258 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.63 -40.06 90.56 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 m -76.41 -27.93 56.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.177 -0.952 . . . . 0.0 109.745 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.343 -0.848 . . . . 0.0 110.532 -177.733 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.351 0.596 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.11 -39.92 91.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.361 -0.837 . . . . 0.0 110.292 -179.526 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.16 -44.1 97.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.04 -179.143 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.01 94.99 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.9 mt -65.61 -39.93 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.486 -1.009 . . . . 0.0 109.476 179.604 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.98 -48.64 80.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.283 -0.885 . . . . 0.0 109.814 -179.209 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.9 -40.95 78.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 0.0 109.13 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.63 64.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -61.6 139.68 58.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.067 . . . . 0.0 109.34 -178.862 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.75 170.35 14.09 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.81 151.89 28.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.102 -0.999 . . . . 0.0 110.059 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -66.03 80.08 0.08 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.363 -0.836 . . . . 0.0 110.12 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -101.01 -156.63 0.56 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.463 -0.773 . . . . 0.0 109.09 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.09 -32.16 70.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.945 . . . . 0.0 109.608 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -59.97 -37.44 79.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.739 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -59.87 -40.13 87.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.974 -1.079 . . . . 0.0 109.554 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -60.01 -41.06 91.33 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.684 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -97.81 86.34 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 108.879 178.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -70.02 -26.52 64.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 -179.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.06 -40.0 92.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.136 -0.977 . . . . 0.0 109.472 -179.459 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.11 89.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -0.917 . . . . 0.0 109.363 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -61.16 -42.1 97.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.463 -0.773 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.66 99.81 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.524 -0.735 . . . . 0.0 110.178 -179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.05 -40.06 92.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.935 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -100.26 -0.38 38.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.282 -0.886 . . . . 0.0 109.902 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 56.12 42.41 28.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.392 -0.817 . . . . 0.0 110.076 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 mt -113.84 151.72 44.98 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.8 Cg_endo -70.01 149.47 65.37 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.208 1.272 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.76 -18.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.111 1.874 . . . . 0.0 112.74 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' PRO . 57.4 t -60.09 -49.94 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.896 -1.128 . . . . 0.0 110.969 -177.901 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.89 -43.25 86.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.853 -1.154 . . . . 0.0 109.63 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.36 96.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.116 -0.99 . . . . 0.0 109.234 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -60.42 -38.3 83.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.928 . . . . 0.0 109.774 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.94 -42.82 94.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.507 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.62 -40.15 85.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.087 -1.008 . . . . 0.0 108.81 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.88 -40.02 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.313 -0.867 . . . . 0.0 109.521 179.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.95 91.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.455 -0.778 . . . . 0.0 109.51 -179.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.52 -40.01 64.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.725 -179.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -76.29 113.75 14.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.223 -0.923 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.09 -39.98 94.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.49 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.12 -40.43 89.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.0 110.723 -179.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -78.17 -30.63 49.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.912 -1.117 . . . . 0.0 109.738 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.76 HE21 ' HG3' ' B' ' 44' ' ' GLN . 60.2 tt0 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.059 -178.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.08 -40.07 92.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.257 -0.902 . . . . 0.0 110.358 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.94 -44.25 97.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.0 110.084 -179.211 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.07 -38.93 95.06 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 9' ' ' GLN . 62.0 mt -65.44 -40.06 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.496 -1.002 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.98 -48.53 81.33 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.789 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -69.0 -40.92 78.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.088 -1.007 . . . . 0.0 109.191 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.38 64.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.735 -0.603 . . . . 0.0 110.245 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.9 tt0 -61.59 139.79 58.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.051 . . . . 0.0 109.311 -179.004 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -166.1 170.2 13.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.6 152.25 26.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.993 -179.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -66.51 80.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.07 -156.58 0.56 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.496 -0.753 . . . . 0.0 109.09 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -70.02 -32.19 70.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.664 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -37.35 79.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.748 -179.389 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.966 -1.084 . . . . 0.0 109.54 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.6 p -60.0 -41.06 91.3 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.925 -1.109 . . . . 0.0 108.627 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -97.76 86.31 3.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.43 -0.794 . . . . 0.0 108.988 179.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.02 -26.57 64.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.213 -0.929 . . . . 0.0 109.529 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -61.11 -40.01 92.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 0.0 109.424 -179.39 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.15 89.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.975 . . . . 0.0 109.354 179.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.06 -42.37 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.482 -0.761 . . . . 0.0 109.683 -179.644 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.86 99.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.679 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.0 t -69.01 -40.01 78.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 0.0 110.187 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.07 -39.99 91.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 0.0 110.091 -179.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.39 -0.38 38.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 56.12 42.44 28.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.489 -0.757 . . . . 0.0 110.084 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.89 151.6 44.91 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.408 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.4 Cg_endo -69.95 149.26 65.42 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.286 1.324 . . . . 0.0 110.93 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.62 -19.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.161 1.907 . . . . 0.0 112.628 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.9 t -59.95 -50.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.876 -1.14 . . . . 0.0 111.106 -177.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.8 -43.28 86.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 120.903 -1.123 . . . . 0.0 109.569 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.59 97.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 109.211 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -60.19 -38.31 82.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.211 -0.931 . . . . 0.0 109.768 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.92 -42.94 95.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 109.545 -179.072 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.52 -39.96 84.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.146 -0.972 . . . . 0.0 108.938 179.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.06 -40.0 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.422 -0.799 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.24 -39.0 92.13 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.494 -0.754 . . . . 0.0 109.493 -179.547 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.6 m -73.49 -39.95 64.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.787 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.33 113.83 14.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.05 -40.03 94.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 110.498 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.16 -40.26 89.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 110.739 -179.055 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.38 -30.59 47.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.998 -1.064 . . . . 0.0 109.676 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.76 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.2 tt0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 110.028 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.344 0.592 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.91 -40.9 94.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.383 -0.823 . . . . 0.0 110.814 -178.851 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.98 -45.68 93.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.269 -179.099 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.8 96.37 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.08 -39.9 87.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.618 -0.931 . . . . 0.0 110.175 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.26 -43.57 96.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.718 -1.239 . . . . 0.0 109.995 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.62 -40.42 76.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.0 -1.062 . . . . 0.0 108.628 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.02 68.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.532 -0.73 . . . . 0.0 110.084 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.07 139.93 57.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.894 -1.129 . . . . 0.0 109.099 -178.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -169.07 159.88 9.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 109.17 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.48 162.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.502 -0.749 . . . . 0.0 110.207 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' ND1' ' SG ' ' A' ' 43' ' ' CYS . 75.6 t60 -71.07 70.86 0.54 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -82.25 -174.17 4.97 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.566 -0.709 . . . . 0.0 109.718 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -68.46 -24.93 64.76 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.06 -33.77 72.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 109.66 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -59.96 -40.81 90.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.876 -1.14 . . . . 0.0 109.229 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -60.91 -46.95 88.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 108.186 179.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.29 79.32 4.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -69.97 -23.34 63.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 -179.56 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.95 -40.19 92.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 0.0 110.322 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.16 96.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.893 -1.13 . . . . 0.0 109.403 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.0 ttp -62.99 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.719 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.42 -46.43 88.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 109.367 179.672 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 110.087 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.44 -0.788 . . . . 0.0 109.82 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.46 1.3 43.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.891 . . . . 0.0 109.707 -179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 54.37 47.69 22.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.415 -0.803 . . . . 0.0 110.465 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -119.67 150.75 50.86 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.222 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 50.3 Cg_endo -69.77 152.15 69.16 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.588 1.525 . . . . 0.0 111.073 179.617 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -42.55 -17.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.101 1.867 . . . . 0.0 112.472 -179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' PRO . 98.0 t -60.02 -54.66 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.978 -1.076 . . . . 0.0 111.179 -178.312 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.88 -40.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.1 -1.0 . . . . 0.0 108.983 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.89 86.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.98 -39.81 95.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.929 -1.107 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.55 -40.27 90.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.843 -1.161 . . . . 0.0 109.7 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.1 -39.93 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.058 -1.026 . . . . 0.0 108.401 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.15 -40.17 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.09 69.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 109.947 -179.313 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -73.07 -33.91 65.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.123 -0.986 . . . . 0.0 109.483 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.64 112.04 11.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.0 109.403 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -40.09 89.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.494 -0.754 . . . . 0.0 110.379 -179.815 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.25 -41.21 92.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' SG ' ' ND1' ' A' ' 12' ' ' HIS . 52.9 m -77.92 -29.96 50.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.773 -179.805 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.471 -0.768 . . . . 0.0 111.47 -177.625 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.327 0.584 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.16 -40.39 93.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.53 -45.5 93.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 110.125 -179.132 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.76 -38.43 95.92 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.04 -39.96 87.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.583 -0.951 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.99 -43.57 95.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.774 -1.204 . . . . 0.0 110.101 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.76 -40.37 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.89 -1.131 . . . . 0.0 108.651 179.401 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.72 67.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 110.3 179.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.16 139.41 58.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.1 -1.0 . . . . 0.0 109.223 -178.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -168.52 159.99 10.65 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.296 -0.877 . . . . 0.0 109.31 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.8 162.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.326 -0.858 . . . . 0.0 110.1 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.484 ' ND1' ' SG ' ' B' ' 43' ' ' CYS . 75.2 t60 -71.0 70.99 0.53 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.361 -0.837 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.28 -174.49 5.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.588 -0.695 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.73 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -59.98 -33.61 72.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.713 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -40.42 89.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.872 -1.143 . . . . 0.0 109.311 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -61.28 -46.76 88.99 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.126 . . . . 0.0 108.209 179.199 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.39 78.96 4.41 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.612 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -69.86 -23.09 63.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.909 . . . . 0.0 109.755 -179.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -61.15 -40.06 92.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.0 110.291 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.917 -1.115 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.7 ttp -63.02 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.423 -0.798 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.38 -46.26 89.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 109.282 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.04 -39.82 93.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.844 . . . . 0.0 110.171 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -61.79 -39.98 93.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.942 -179.582 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -99.53 0.69 42.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.222 -0.924 . . . . 0.0 109.673 -179.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.4 m-20 55.17 47.26 22.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.327 -0.858 . . . . 0.0 110.395 179.487 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -119.57 150.76 50.64 Favored Pre-proline 0 N--CA 1.502 2.149 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.2 Cg_endo -69.93 152.44 68.43 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.551 1.501 . . . . 0.0 111.256 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.8 -17.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.974 1.783 . . . . 0.0 112.456 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.4 t -60.05 -54.4 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.09 -1.006 . . . . 0.0 111.189 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.15 -40.98 83.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.295 -0.878 . . . . 0.0 108.949 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.98 85.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.511 -0.743 . . . . 0.0 109.939 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.74 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.965 -1.084 . . . . 0.0 110.234 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.37 -40.47 90.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.95 -1.094 . . . . 0.0 109.785 -179.499 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.62 -40.34 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.881 -1.137 . . . . 0.0 108.093 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.32 -39.9 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.651 -0.655 . . . . 0.0 109.277 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.68 68.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.411 -0.806 . . . . 0.0 110.099 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -73.34 -33.72 65.27 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.56 112.1 11.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 109.244 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.76 -39.91 90.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.394 -0.816 . . . . 0.0 110.41 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.04 -41.36 92.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 110.189 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . 0.484 ' SG ' ' ND1' ' B' ' 12' ' ' HIS . 46.6 m -77.94 -30.03 50.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.008 -1.058 . . . . 0.0 109.726 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 111.457 -177.475 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.522 0.677 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.08 -40.11 92.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.524 -179.384 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 8.9 p-10 -61.49 -49.79 75.33 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -179.069 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.61 -38.14 86.26 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.652 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 5' ' ' ILE . 64.2 mt -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -1.027 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -69.45 -40.0 77.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 108.675 179.275 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -27.42 63.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 110.092 179.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.63 126.18 26.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 0.0 109.73 -178.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -148.1 -164.12 1.94 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.45 -0.781 . . . . 0.0 109.15 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 43.1 mp0 -75.07 158.42 33.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.734 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.37 77.06 2.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.548 -179.677 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.86 -156.44 0.56 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.384 -0.823 . . . . 0.0 109.581 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.32 -30.42 68.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -60.0 -38.9 83.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.372 -0.83 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.99 -39.99 87.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.973 -1.08 . . . . 0.0 108.431 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -67.67 -39.99 84.48 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.955 -1.091 . . . . 0.0 108.536 179.199 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -94.05 80.71 4.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 109.11 179.382 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -70.06 -27.57 64.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -60.1 -40.04 88.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 -179.07 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.49 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.12 -40.88 97.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.255 -0.903 . . . . 0.0 109.452 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.63 -40.52 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.042 -1.036 . . . . 0.0 108.949 179.882 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -68.8 -39.9 79.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.499 -0.751 . . . . 0.0 110.287 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -61.56 -39.95 92.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.763 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.92 -1.38 40.14 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.409 -0.807 . . . . 0.0 109.519 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 84.7 m-20 53.95 45.92 26.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.74 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.98 151.2 44.61 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.7 Cg_endo -71.61 149.35 55.12 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.593 1.529 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -40.95 -20.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.161 1.908 . . . . 0.0 112.56 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 59.8 t -59.87 -50.82 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.805 -1.184 . . . . 0.0 110.516 -177.824 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.61 -42.42 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.842 -1.161 . . . . 0.0 109.271 179.485 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.98 95.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.297 -0.877 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -62.0 -40.11 94.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.028 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 12.6 tm-20 -59.87 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.064 -1.022 . . . . 0.0 110.344 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -61.14 -40.02 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.744 -1.223 . . . . 0.0 108.173 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.1 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 108.765 179.072 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.61 83.89 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.653 -0.655 . . . . 0.0 109.688 179.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.5 m -71.67 -40.12 69.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.315 -0.866 . . . . 0.0 109.853 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -76.32 115.07 15.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.09 -1.006 . . . . 0.0 109.229 179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.17 -40.05 88.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 0.0 110.176 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -59.93 -42.27 93.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 109.855 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.04 -22.64 42.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.173 -178.345 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.499 0.666 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.33 -39.96 92.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.581 -0.699 . . . . 0.0 110.531 -179.435 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 9.1 p-10 -61.34 -50.0 74.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.944 . . . . 0.0 110.436 -179.173 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.05 85.85 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' ILE . . . . . 0.426 HG22 HD11 ' B' ' 5' ' ' ILE . 63.5 mt -64.66 -40.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.397 -1.061 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -59.93 -41.56 92.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.887 -1.133 . . . . 0.0 110.032 -178.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.29 -40.18 77.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.973 -1.079 . . . . 0.0 108.598 179.281 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.59 64.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.641 -0.662 . . . . 0.0 110.046 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.53 126.19 26.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.012 . . . . 0.0 109.734 -178.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -148.11 -163.89 1.88 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 42.9 mp0 -75.21 158.52 32.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 109.727 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -75.39 77.14 2.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 109.594 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.97 -156.72 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.475 -0.766 . . . . 0.0 109.515 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.16 -30.47 68.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.206 -0.934 . . . . 0.0 109.203 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -59.91 -38.98 83.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.148 -179.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.94 -40.0 87.48 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.181 -1.008 . . . . 0.0 108.5 179.593 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.6 p -67.55 -39.97 84.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.912 -1.118 . . . . 0.0 108.621 179.097 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.14 80.6 4.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.843 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -69.98 -27.53 64.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 109.688 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -60.04 -40.14 88.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.909 . . . . 0.0 109.678 -179.089 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.57 98.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.571 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.19 -41.12 97.22 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.243 -0.91 . . . . 0.0 109.461 -179.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.39 -40.58 96.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.149 -0.969 . . . . 0.0 109.021 179.852 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -68.6 -40.09 80.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.508 -0.745 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 109.747 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -99.03 -1.22 40.25 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.406 -0.809 . . . . 0.0 109.441 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.4 m-20 53.72 45.9 27.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.0 109.791 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.96 151.16 44.56 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 31' ' ' VAL . 59.6 Cg_endo -71.43 149.3 56.16 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.613 1.542 . . . . 0.0 111.363 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.96 -20.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.118 1.879 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' PRO . 62.2 t -59.87 -51.02 77.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.772 -1.205 . . . . 0.0 110.675 -177.776 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 -42.46 80.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.817 -1.177 . . . . 0.0 109.207 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.94 95.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.353 -0.842 . . . . 0.0 109.961 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -61.98 -39.96 93.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.095 -1.003 . . . . 0.0 110.087 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . 0.428 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 12.4 tm-20 -60.1 -39.92 87.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.079 -1.013 . . . . 0.0 110.376 -178.841 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.3 -39.89 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.771 -1.205 . . . . 0.0 108.169 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.02 -40.07 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.177 -0.952 . . . . 0.0 108.795 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.54 -38.82 84.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.677 -0.64 . . . . 0.0 109.726 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' SER . . . . . 0.428 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 61.0 m -71.51 -40.04 70.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.254 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.45 114.86 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.125 -0.985 . . . . 0.0 109.157 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -60.1 -40.01 88.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.452 -0.78 . . . . 0.0 110.155 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.08 -42.22 94.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.083 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.12 -22.44 42.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.858 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 33.7 tt0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.183 -0.948 . . . . 0.0 110.259 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.392 0.615 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.7 -41.31 94.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.547 -0.72 . . . . 0.0 111.009 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.11 -41.11 99.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.969 -1.082 . . . . 0.0 110.062 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.47 96.08 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.34 -39.94 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.517 -0.99 . . . . 0.0 110.288 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.06 -46.67 88.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.996 -1.065 . . . . 0.0 109.784 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -69.58 -40.08 76.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.874 -1.141 . . . . 0.0 109.132 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.42 132.74 53.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.208 -0.933 . . . . 0.0 110.196 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 4.0 tp10 -158.31 -149.61 0.23 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 79.8 mt-10 -80.95 155.1 26.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.053 -1.03 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.32 78.72 1.0 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.423 -0.798 . . . . 0.0 109.158 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -100.38 -155.98 0.53 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.369 -0.832 . . . . 0.0 109.911 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' A' ' 17' ' ' SER . 60.3 mttp -69.77 -30.9 68.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.417 -0.802 . . . . 0.0 109.13 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -59.94 -39.99 87.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.461 -0.774 . . . . 0.0 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.39 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 96.6 p -60.41 -49.03 79.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.946 -1.097 . . . . 0.0 108.866 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -95.37 91.56 6.29 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.341 -0.849 . . . . 0.0 108.868 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.02 -27.28 64.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 110.009 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -39.98 88.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.153 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.83 94.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.083 -1.011 . . . . 0.0 109.561 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.89 -42.35 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.022 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.74 95.32 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.14 -0.975 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -70.06 -39.98 75.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 109.749 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.75 -39.98 90.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 109.976 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -99.22 0.56 43.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.313 -0.867 . . . . 0.0 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 53.27 44.74 29.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.793 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.2 mt -113.37 150.91 43.88 Favored Pre-proline 0 N--CA 1.499 2.017 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.9 Cg_endo -67.95 145.35 67.68 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 121.287 1.324 . . . . 0.0 110.805 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.23 -18.1 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.313 2.009 . . . . 0.0 113.087 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.2 t -59.98 -50.05 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.95 -1.094 . . . . 0.0 110.693 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.71 -41.98 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.8 -1.188 . . . . 0.0 109.58 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 110.279 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.9 -39.46 89.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -0.983 . . . . 0.0 110.162 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.59 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.849 -1.157 . . . . 0.0 108.809 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.84 -40.03 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.43 -0.794 . . . . 0.0 108.904 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.75 89.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.586 -0.696 . . . . 0.0 109.671 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -72.7 -39.96 66.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 110.278 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 t -75.85 112.62 12.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.988 -1.07 . . . . 0.0 108.754 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 110.365 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.88 -39.99 91.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.086 -1.009 . . . . 0.0 109.997 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -77.71 -27.72 50.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.87 -1.143 . . . . 0.0 110.089 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.448 HE21 ' HG3' ' B' ' 44' ' ' GLN . 58.2 tt0 -76.21 -74.53 0.22 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.147 -0.97 . . . . 0.0 110.56 -178.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.54 135.45 47.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.392 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.0 -79.91 0.33 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 108.667 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.37 -169.9 46.15 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.74 149.9 32.58 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -1.171 . . . . 0.0 109.514 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -69.66 -92.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.627 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -79.01 155.25 28.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.476 -0.765 . . . . 0.0 109.69 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -76.29 -1.9 28.89 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.256 -0.902 . . . . 0.0 108.679 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.3 -106.67 2.72 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -145.88 159.41 43.25 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.369 -1.077 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.31 122.94 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.234 -0.916 . . . . 0.0 109.304 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.313 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.445 0.64 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.48 -41.7 94.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 110.959 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.89 -40.94 99.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -38.47 96.17 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.25 -40.0 85.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.519 -0.989 . . . . 0.0 110.269 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.98 -46.87 88.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.943 -1.098 . . . . 0.0 109.816 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.49 -40.04 77.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.138 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.06 80.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.516 -0.74 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.63 133.18 54.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 4.0 tp10 -158.68 -149.55 0.22 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.415 -0.803 . . . . 0.0 109.12 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 80.0 mt-10 -80.84 155.17 26.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.073 -1.017 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.57 78.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 0.0 109.072 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -100.3 -155.84 0.53 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.419 -0.8 . . . . 0.0 109.858 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.431 ' O ' ' OG ' ' B' ' 17' ' ' SER . 60.2 mttp -69.91 -30.8 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.08 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.389 -0.819 . . . . 0.0 109.005 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.07 -40.93 91.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.16 -0.963 . . . . 0.0 109.43 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 96.5 p -60.17 -49.1 78.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.859 -1.15 . . . . 0.0 108.911 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -95.25 91.43 6.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.164 -0.96 . . . . 0.0 109.001 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -70.01 -27.22 64.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.957 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.198 -0.939 . . . . 0.0 110.048 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.81 94.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 109.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.4 ttp -60.91 -42.24 97.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.64 95.37 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -70.0 -40.03 75.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 109.752 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.71 -40.0 90.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.926 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -99.21 0.5 43.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 109.505 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 53.31 44.74 29.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.406 -0.809 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -113.4 150.89 43.86 Favored Pre-proline 0 N--CA 1.501 2.103 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 31' ' ' VAL . 40.1 Cg_endo -67.84 145.33 68.27 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.309 1.339 . . . . 0.0 110.809 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -40.22 -18.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.343 2.029 . . . . 0.0 113.112 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.2 t -59.94 -49.93 82.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.958 -1.089 . . . . 0.0 110.711 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.8 -42.0 85.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.799 -1.188 . . . . 0.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.45 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.193 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -61.11 -39.28 89.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.144 -0.972 . . . . 0.0 110.239 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.967 -1.083 . . . . 0.0 109.609 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -39.98 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.872 -1.142 . . . . 0.0 108.87 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.85 -39.98 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.842 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.92 89.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.556 -0.715 . . . . 0.0 109.634 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.4 m -72.62 -40.01 66.81 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.893 . . . . 0.0 110.309 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.74 112.56 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.964 -1.085 . . . . 0.0 108.667 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.97 -39.98 91.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.103 -0.998 . . . . 0.0 109.949 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 m -77.75 -27.57 50.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.957 -1.089 . . . . 0.0 110.149 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.448 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.0 tt0 -76.17 -74.43 0.23 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.058 . . . . 0.0 110.646 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.61 135.49 46.98 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.39 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.0 -79.83 0.33 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.33 -169.87 46.09 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.85 149.92 32.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.551 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -69.79 -93.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.221 -0.924 . . . . 0.0 109.586 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -78.9 155.33 29.11 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.462 -0.774 . . . . 0.0 109.75 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -76.5 -1.75 28.8 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.318 -0.864 . . . . 0.0 108.696 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.08 -106.66 2.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -145.95 159.4 43.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -1.059 . . . . 0.0 108.954 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.28 123.03 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.255 -0.903 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.231 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.484 0.659 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.27 -39.99 88.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.491 -0.756 . . . . 0.0 110.144 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.08 -49.98 75.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.171 -0.956 . . . . 0.0 110.412 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.99 96.64 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.4 mt -64.77 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.99 . . . . 0.0 110.247 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.0 -47.87 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.038 -1.039 . . . . 0.0 109.56 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.37 -40.06 81.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.164 -0.96 . . . . 0.0 108.998 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.82 70.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.566 -0.709 . . . . 0.0 109.872 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.5 tt0 -61.19 127.16 30.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.388 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -149.29 -164.44 2.03 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.419 -0.801 . . . . 0.0 109.173 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -79.88 156.21 27.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.424 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 67.0 t60 -69.61 72.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.2 -0.937 . . . . 0.0 109.467 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.08 -151.19 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.9 -30.99 68.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.215 -0.928 . . . . 0.0 109.922 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -59.98 -39.98 87.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.08 -1.012 . . . . 0.0 109.786 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.43 -39.99 89.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.01 -1.056 . . . . 0.0 109.56 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -61.19 -45.29 95.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.093 . . . . 0.0 109.227 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -96.32 89.9 5.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.279 -0.888 . . . . 0.0 109.346 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -70.02 -27.18 64.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.16 -0.962 . . . . 0.0 109.247 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.57 -39.92 89.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.73 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.002 -1.061 . . . . 0.0 108.83 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.71 -43.12 99.64 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.505 -0.747 . . . . 0.0 109.532 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.03 -44.24 96.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.119 -0.988 . . . . 0.0 109.816 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.7 m -68.33 -40.05 81.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.32 -41.82 94.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 110.334 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -102.33 -0.01 33.45 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.44 -0.788 . . . . 0.0 110.031 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.7 m-20 55.82 43.15 28.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.498 -0.751 . . . . 0.0 110.786 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.41 150.93 43.35 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -68.38 149.38 75.09 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 121.555 1.503 . . . . 0.0 111.288 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.73 -18.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.114 1.876 . . . . 0.0 112.4 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.5 t -59.98 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.046 -1.034 . . . . 0.0 110.793 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.72 -43.45 82.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.789 -1.194 . . . . 0.0 109.249 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.76 93.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.256 -0.903 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.52 -40.05 96.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 35' ' ' GLU . 2.7 tm-20 -60.82 -40.03 91.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.859 -1.15 . . . . 0.0 109.572 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.8 -40.0 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.984 -1.073 . . . . 0.0 108.664 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.89 -39.99 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.62 78.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.648 . . . . 0.0 109.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.75 -37.58 65.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.011 . . . . 0.0 110.271 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -74.84 114.73 13.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.837 -1.164 . . . . 0.0 109.371 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.14 -39.95 88.11 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.239 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -61.32 -44.45 97.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.061 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 12.0 m -79.98 -32.52 39.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.017 -1.052 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -68.38 -53.97 20.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.459 -0.775 . . . . 0.0 112.058 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -80.01 100.81 8.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.648 -1.283 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -99.22 -10.81 21.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.631 -0.668 . . . . 0.0 109.351 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.74 159.04 43.68 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.15 -4.51 56.08 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.402 -1.058 . . . . 0.0 110.052 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.11 93.51 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.125 -0.984 . . . . 0.0 109.25 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.481 ' C ' ' CG ' ' A' ' 51' ' ' HIS . 71.0 mtm -115.61 -164.77 0.98 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.552 -0.717 . . . . 0.0 109.762 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.611 ' O ' ' N ' ' B' ' 51' ' ' HIS . 6.6 m80 83.53 110.81 0.06 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.145 0.498 . . . . 0.0 111.119 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.01 -27.25 0.23 Allowed Glycine 0 N--CA 1.499 2.888 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.83 -167.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -1.127 . . . . 0.0 109.167 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.77 119.96 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.333 -0.854 . . . . 0.0 109.445 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.602 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.507 0.67 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.15 -40.07 88.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.377 -0.827 . . . . 0.0 110.139 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.03 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.113 -0.992 . . . . 0.0 110.406 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -40.03 96.7 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' B' ' 9' ' ' GLN . 78.5 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -1.028 . . . . 0.0 110.241 -179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.08 -47.88 84.06 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 109.516 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.27 -39.97 82.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.152 -0.968 . . . . 0.0 108.974 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -32.79 70.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.535 -0.728 . . . . 0.0 109.868 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.3 tt0 -61.18 127.24 30.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.266 -0.896 . . . . 0.0 109.361 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -149.44 -164.35 2.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.425 -0.797 . . . . 0.0 109.158 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -79.97 156.29 27.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.377 -0.827 . . . . 0.0 109.64 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 66.7 t60 -69.63 71.99 0.34 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.077 -1.014 . . . . 0.0 109.515 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -100.92 -151.12 0.4 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.488 -0.757 . . . . 0.0 109.53 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.05 -30.74 68.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 109.927 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.941 -1.099 . . . . 0.0 109.571 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -61.08 -45.53 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.968 -1.083 . . . . 0.0 109.201 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -96.34 90.39 5.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.202 -0.936 . . . . 0.0 109.293 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -69.97 -27.37 64.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.187 -0.945 . . . . 0.0 109.275 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 110.079 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.075 -1.015 . . . . 0.0 108.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.9 ttm -62.6 -43.1 99.67 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.88 -44.34 96.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.858 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -68.29 -40.06 81.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.937 . . . . 0.0 110.082 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.4 -41.88 94.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.337 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -102.38 0.06 33.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.325 -0.86 . . . . 0.0 110.044 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 23' ' ' ALA . 95.7 m-20 55.8 42.9 28.56 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.809 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.97 150.87 43.02 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.3 Cg_endo -68.54 149.51 74.34 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.432 1.421 . . . . 0.0 111.413 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -40.69 -18.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.242 1.961 . . . . 0.0 112.42 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.8 t -60.11 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.031 -1.043 . . . . 0.0 110.688 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.76 -43.65 82.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.352 -0.842 . . . . 0.0 109.817 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.45 -40.02 96.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 110.032 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.418 ' O ' ' OE2' ' B' ' 35' ' ' GLU . 2.7 tm-20 -60.87 -39.95 91.16 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.959 -1.088 . . . . 0.0 109.603 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -61.98 -39.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.061 -1.025 . . . . 0.0 108.644 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.88 -39.99 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.56 78.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.581 -0.7 . . . . 0.0 109.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -73.77 -37.59 64.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.103 -0.998 . . . . 0.0 110.255 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.94 114.73 13.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.88 -1.137 . . . . 0.0 109.313 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.21 -40.08 88.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.09 -44.44 97.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -0.96 . . . . 0.0 110.123 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 11.5 m -79.93 -32.42 40.08 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.029 -1.045 . . . . 0.0 110.449 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.5 -54.09 19.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.382 -0.824 . . . . 0.0 112.059 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.94 100.93 8.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.692 -1.255 . . . . 0.0 110.334 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -99.32 -10.85 21.81 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.596 -0.69 . . . . 0.0 109.396 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.87 159.31 43.71 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -91.17 -4.34 56.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.432 -1.04 . . . . 0.0 110.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.94 93.4 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.087 -1.008 . . . . 0.0 109.249 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' B' ' 51' ' ' HIS . 71.0 mtm -115.21 -164.2 0.93 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.521 -0.737 . . . . 0.0 109.836 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 51' ' ' HIS . 6.1 m80 82.67 111.38 0.06 Allowed 'General case' 0 N--CA 1.504 2.23 0 CA-C-O 121.247 0.546 . . . . 0.0 111.181 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.61 -27.65 0.21 Allowed Glycine 0 N--CA 1.497 2.732 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 52.77 -167.86 0.05 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -1.147 . . . . 0.0 109.306 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.45 120.03 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.281 -0.887 . . . . 0.0 109.404 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.614 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.461 0.648 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.24 -40.05 94.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 110.492 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 -41.88 95.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.011 -1.055 . . . . 0.0 110.423 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.59 96.59 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.78 -40.19 85.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.607 -0.937 . . . . 0.0 110.332 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.95 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.764 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -68.55 -41.18 80.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.309 -0.957 . . . . 0.0 109.204 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.73 74.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.356 -0.84 . . . . 0.0 109.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.16 137.5 58.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.015 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.03 -174.96 3.5 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' GLU . 33.9 tt0 -62.6 149.95 41.92 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.179 -0.95 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.0 t60 -64.14 75.67 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.392 -0.818 . . . . 0.0 109.849 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 91.9 mt-10 -90.03 -162.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.477 -0.764 . . . . 0.0 109.847 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.53 -30.04 67.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.837 . . . . 0.0 109.958 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -59.88 -32.43 70.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.247 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.02 -40.29 88.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.77 -1.206 . . . . 0.0 109.348 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.604 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 83.1 p -60.4 -40.58 91.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.949 -1.094 . . . . 0.0 108.551 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.604 ' N ' ' HG ' ' A' ' 17' ' ' SER . 98.3 m-20 -98.87 82.81 2.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.673 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -70.12 -26.8 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.186 -0.946 . . . . 0.0 109.486 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 31.1 mtm-85 -61.42 -40.91 96.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.053 -1.029 . . . . 0.0 109.802 -179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.875 . . . . 0.0 109.434 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.87 -40.92 97.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.209 -0.932 . . . . 0.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.03 98.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.005 -1.06 . . . . 0.0 109.6 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.63 -40.18 76.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.424 -0.798 . . . . 0.0 110.319 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.12 -40.04 92.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.129 -0.982 . . . . 0.0 110.092 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -99.14 0.3 43.18 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.379 -0.825 . . . . 0.0 109.537 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.42 42.93 31.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.5 -0.75 . . . . 0.0 110.481 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -112.15 150.52 42.58 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.9 Cg_endo -68.7 147.23 69.18 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.602 1.535 . . . . 0.0 111.303 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.07 -18.77 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.401 2.067 . . . . 0.0 112.478 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -59.87 -50.18 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.02 . . . . 0.0 110.322 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -40.21 79.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.69 97.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.79 -39.03 87.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.262 -0.899 . . . . 0.0 109.531 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -59.9 -42.15 93.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 0.0 109.795 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.59 -40.75 87.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 120.9 -1.125 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.81 -39.94 84.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.209 -0.932 . . . . 0.0 108.944 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.99 -39.78 90.61 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.474 -0.766 . . . . 0.0 109.911 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -72.24 -37.53 69.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.184 -0.948 . . . . 0.0 109.994 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.6 t -75.14 107.65 7.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.956 -1.09 . . . . 0.0 109.26 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.01 -39.96 87.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.373 -0.829 . . . . 0.0 110.395 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.16 -0.962 . . . . 0.0 109.651 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.5 m -73.21 -35.4 66.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.081 . . . . 0.0 109.212 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.634 HE21 ' HG3' ' B' ' 44' ' ' GLN . 49.8 tt0 -79.49 -70.76 0.49 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.506 -0.746 . . . . 0.0 110.592 -178.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.33 136.15 42.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.815 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -86.27 -8.97 57.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.285 -0.884 . . . . 0.0 110.261 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 161.84 0.4 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 60.61 34.06 20.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -1.15 . . . . 0.0 109.747 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -92.07 -15.05 28.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.148 -0.97 . . . . 0.0 110.46 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' B' ' 50' ' ' MET . 59.5 ttm -70.09 -95.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 110.959 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -75.24 159.24 31.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.082 -1.011 . . . . 0.0 110.776 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.35 -127.54 0.89 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -97.96 119.39 36.5 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.074 -1.251 . . . . 0.0 108.932 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.26 126.43 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.519 -0.738 . . . . 0.0 109.599 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.554 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.421 0.629 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.53 -40.23 93.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.69 -41.19 96.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.03 -1.044 . . . . 0.0 110.669 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.57 -37.64 94.68 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.27 -39.59 83.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.711 -0.876 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.66 -46.58 89.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -68.37 -41.26 80.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.142 -0.974 . . . . 0.0 109.204 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.51 74.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.527 -0.733 . . . . 0.0 109.943 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.3 137.78 58.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.04 -174.76 3.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' B' ' 13' ' ' GLU . 33.9 tt0 -63.12 149.8 44.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.202 -0.936 . . . . 0.0 109.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -63.71 76.49 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.466 -0.771 . . . . 0.0 109.711 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 11' ' ' GLU . 91.8 mt-10 -91.19 -162.29 0.9 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.386 -0.821 . . . . 0.0 109.81 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.62 -29.8 67.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.544 -0.722 . . . . 0.0 110.025 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -60.07 -32.88 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.078 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.98 -40.23 88.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.74 -1.225 . . . . 0.0 109.37 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.603 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 84.3 p -60.58 -40.24 91.0 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.919 -1.113 . . . . 0.0 108.8 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.603 ' N ' ' HG ' ' B' ' 17' ' ' SER . 98.3 m-20 -99.08 82.7 2.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.472 -0.768 . . . . 0.0 109.393 179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.02 -27.37 64.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -61.06 -40.77 94.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.634 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttp -64.32 -41.12 96.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 0.0 109.681 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.92 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.029 -1.045 . . . . 0.0 109.49 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.8 t -69.97 -40.1 75.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.488 -0.758 . . . . 0.0 110.314 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.97 -40.06 91.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -99.23 0.41 43.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.271 -0.893 . . . . 0.0 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.37 43.16 30.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.473 -0.767 . . . . 0.0 110.478 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -111.86 150.92 43.05 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.8 Cg_endo -68.66 147.31 69.59 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.565 1.51 . . . . 0.0 111.3 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -40.27 -18.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.3 2.0 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.6 t -59.85 -50.2 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.07 -1.019 . . . . 0.0 110.51 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.23 -40.27 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.086 -1.008 . . . . 0.0 108.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.42 96.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.682 -0.636 . . . . 0.0 109.652 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -60.99 -38.68 86.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.0 109.32 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.0 -42.12 93.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.81 -40.61 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 120.848 -1.158 . . . . 0.0 109.074 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.03 -40.24 85.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.9 -39.56 90.73 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.493 -0.755 . . . . 0.0 109.836 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -71.96 -38.85 69.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.34 -0.85 . . . . 0.0 110.06 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 t -74.46 108.15 7.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.906 -1.121 . . . . 0.0 109.24 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.61 -39.61 88.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.506 -0.746 . . . . 0.0 110.483 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.09 -39.77 87.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.049 -1.032 . . . . 0.0 109.593 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -73.71 -34.44 64.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.911 -1.118 . . . . 0.0 108.848 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.634 ' HG3' HE21 ' A' ' 44' ' ' GLN . 8.9 tt0 -79.94 -70.73 0.5 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.651 -0.656 . . . . 0.0 110.581 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.54 136.35 42.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.939 -1.101 . . . . 0.0 109.725 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -85.96 -9.4 56.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.213 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 161.26 0.41 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 61.08 33.94 19.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.383 -1.069 . . . . 0.0 109.626 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.87 -14.8 29.09 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.144 -0.973 . . . . 0.0 110.647 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' MET . 59.9 ttm -70.21 -95.97 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.09 -1.006 . . . . 0.0 110.89 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -74.97 159.38 31.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.034 . . . . 0.0 110.79 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.24 -127.33 0.87 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -98.24 119.77 37.48 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.312 -1.11 . . . . 0.0 108.825 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -104.67 126.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.419 -0.801 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.522 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.384 0.612 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.47 -40.27 90.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.441 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -61.91 -50.07 73.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.074 -1.016 . . . . 0.0 109.439 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.86 -36.88 89.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 5' ' ' ILE . 59.0 mt -63.65 -40.11 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -1.148 . . . . 0.0 109.735 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.18 -48.33 82.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.027 . . . . 0.0 109.667 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.9 -39.96 75.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.888 -1.132 . . . . 0.0 109.175 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -34.17 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.449 -0.782 . . . . 0.0 109.797 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.15 133.52 55.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.52 -164.63 2.07 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.252 -0.905 . . . . 0.0 110.091 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.15 154.34 39.14 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.334 -0.854 . . . . 0.0 109.493 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -73.32 67.83 1.02 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.314 -0.866 . . . . 0.0 109.227 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 18.8 tt0 -101.52 -149.52 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.658 -0.651 . . . . 0.0 109.682 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' OG ' ' A' ' 17' ' ' SER . 66.7 mmtt -70.05 -32.41 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.777 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -60.42 -40.07 89.7 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.524 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 79.6 p -64.64 -45.1 88.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.121 -0.987 . . . . 0.0 108.901 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -91.95 81.09 5.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.176 -0.953 . . . . 0.0 108.818 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -70.03 -26.71 64.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.451 -0.78 . . . . 0.0 110.034 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -60.64 -40.32 91.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.12 88.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -60.55 -43.79 96.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.28 -0.887 . . . . 0.0 109.722 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.56 -44.88 95.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.669 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -67.27 -40.26 86.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 0.0 110.591 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.0 -40.49 97.92 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.232 -0.917 . . . . 0.0 109.933 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.27 4.37 44.14 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 52.61 46.49 26.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.0 110.433 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.2 mt -118.21 150.99 48.64 Favored Pre-proline 0 N--CA 1.506 2.332 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.4 Cg_endo -71.48 151.47 59.2 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.215 1.277 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.85 -18.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.076 1.851 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 76.0 t -60.01 -51.07 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 111.066 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.2 -42.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.874 -1.141 . . . . 0.0 109.534 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.42 99.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.083 -1.011 . . . . 0.0 109.716 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.11 -40.1 92.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.249 -0.907 . . . . 0.0 110.301 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -60.07 -39.83 87.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.847 -1.158 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.1 mt -64.64 -40.19 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 108.252 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.64 -40.12 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.432 -0.793 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.23 76.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.775 . . . . 0.0 109.567 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.1 m -72.38 -38.83 68.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.633 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.65 112.32 9.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -60.3 -40.18 89.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.52 -0.737 . . . . 0.0 110.114 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.83 -45.09 93.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.74 -34.67 52.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.941 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.47 -70.0 0.52 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.432 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.85 139.64 53.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.148 -0.97 . . . . 0.0 109.593 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -85.74 146.78 26.64 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.87 157.51 48.88 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 119.771 -1.204 . . . . 0.0 110.207 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' ALA . 79.0 mm-40 55.28 62.35 2.51 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.506 -0.996 . . . . 0.0 110.202 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . -49.63 173.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.122 -0.986 . . . . 0.0 109.07 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' O ' ' O ' ' B' ' 50' ' ' MET . 62.9 mtt -53.14 136.83 35.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -122.82 -8.54 8.39 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.53 -0.731 . . . . 0.0 109.179 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.0 172.14 25.87 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -102.01 134.62 44.94 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.337 -1.096 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.1 p -133.19 134.22 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.381 -0.824 . . . . 0.0 109.02 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 23.9 p-10 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.818 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.412 0.625 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.45 -40.36 90.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 0.0 110.352 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 0.6 OUTLIER -61.73 -50.36 72.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.892 -1.13 . . . . 0.0 109.409 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.11 -36.91 84.11 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.438 HG22 HD11 ' B' ' 5' ' ' ILE . 57.5 mt -63.88 -39.9 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -1.11 . . . . 0.0 109.866 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -60.52 -47.72 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.098 -1.001 . . . . 0.0 109.981 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.86 -40.09 75.98 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.89 73.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.507 -0.745 . . . . 0.0 110.075 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.78 132.09 51.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 109.151 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -147.73 -165.0 2.14 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.157 -0.964 . . . . 0.0 110.124 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.84 155.44 38.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.544 -0.722 . . . . 0.0 109.256 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -74.06 68.27 1.38 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.316 -0.865 . . . . 0.0 109.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 20.2 tt0 -101.64 -149.74 0.39 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.554 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.441 ' O ' ' OG ' ' B' ' 17' ' ' SER . 66.2 mmtt -70.07 -32.15 70.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.396 -0.815 . . . . 0.0 109.779 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.71 -40.28 87.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.971 -1.081 . . . . 0.0 109.596 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.11 -40.23 88.95 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.883 -1.136 . . . . 0.0 108.556 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 84.2 p -64.17 -45.6 87.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.131 -0.981 . . . . 0.0 109.048 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -91.86 81.17 5.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.15 -0.969 . . . . 0.0 108.836 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -70.27 -25.76 63.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.328 -0.857 . . . . 0.0 110.307 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -61.23 -40.1 92.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.143 -0.973 . . . . 0.0 109.675 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.06 88.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.8 ttm -60.93 -44.13 97.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.507 -0.746 . . . . 0.0 109.546 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.8 95.52 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.412 -0.805 . . . . 0.0 109.637 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -67.59 -40.03 84.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.663 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -63.02 -40.1 96.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.169 -0.957 . . . . 0.0 109.846 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.38 4.03 43.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.26 -0.9 . . . . 0.0 110.211 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 53.1 45.53 28.53 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.209 -0.932 . . . . 0.0 110.44 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.4 mt -117.31 150.77 46.98 Favored Pre-proline 0 N--CA 1.503 2.219 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.7 Cg_endo -71.5 150.46 57.68 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 121.372 1.382 . . . . 0.0 111.133 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -41.24 -18.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.183 1.922 . . . . 0.0 112.372 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -59.99 -50.86 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.779 -1.201 . . . . 0.0 110.961 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -68.89 -42.95 82.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 120.953 -1.092 . . . . 0.0 109.329 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.33 99.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.058 -1.026 . . . . 0.0 109.636 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.84 -39.59 89.64 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.148 -0.97 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -60.27 -40.04 88.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.864 -1.148 . . . . 0.0 109.514 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.5 mt -64.06 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.92 -39.99 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.458 -0.777 . . . . 0.0 108.923 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.401 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.46 -33.1 73.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.625 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -72.78 -38.9 67.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.7 112.98 10.32 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 109.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.49 -40.27 90.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.453 -0.779 . . . . 0.0 109.96 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.67 -45.47 91.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.333 -0.855 . . . . 0.0 110.465 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -77.58 -34.42 53.61 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.729 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.2 tt0 -79.09 -69.73 0.55 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.227 -0.921 . . . . 0.0 110.486 -178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.11 139.1 52.46 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.144 -0.973 . . . . 0.0 109.535 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -85.22 146.65 26.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.234 -0.917 . . . . 0.0 108.73 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.74 159.15 50.76 Favored Glycine 0 N--CA 1.493 2.449 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.136 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 54.04 61.79 2.89 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.406 -1.055 . . . . 0.0 110.412 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.92 173.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.108 -0.995 . . . . 0.0 109.064 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 50' ' ' MET . 65.5 mtt -51.94 137.95 25.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.986 -1.071 . . . . 0.0 109.446 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -124.12 -9.08 7.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.506 -0.746 . . . . 0.0 109.033 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.81 172.82 30.23 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -101.97 133.84 46.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.46 -1.024 . . . . 0.0 109.437 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -132.57 132.66 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 24.6 p-10 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.969 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 55.4 m-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.534 0.683 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.23 -41.7 93.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.765 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.08 -45.18 86.32 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.035 -1.041 . . . . 0.0 109.983 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.91 96.64 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.57 -40.02 83.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.584 -0.951 . . . . 0.0 110.164 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.2 -45.53 92.86 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.047 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.63 -40.45 76.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.032 -1.043 . . . . 0.0 109.066 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.09 74.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.558 -0.713 . . . . 0.0 110.748 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.16 124.37 20.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.098 -1.001 . . . . 0.0 110.007 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -149.55 -163.98 1.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.788 . . . . 0.0 109.467 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -70.99 152.93 43.08 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.333 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 75.1 t60 -64.47 75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 110.08 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 43.3 mt-10 -92.58 -169.78 2.3 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.706 0.765 . . . . 0.0 109.719 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.22 -27.22 65.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.739 -0.6 . . . . 0.0 109.598 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -58.78 -30.75 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.208 -0.932 . . . . 0.0 110.075 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -60.26 -40.08 89.05 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.696 -1.253 . . . . 0.0 108.783 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.6 p -63.12 -39.76 95.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -91.67 83.1 5.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 109.381 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -69.83 -26.82 64.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.05 -1.031 . . . . 0.0 109.672 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -40.59 92.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 0.0 109.562 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.67 97.52 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.189 -0.944 . . . . 0.0 109.534 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 41.3 ttm -62.44 -46.09 90.11 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.367 -0.833 . . . . 0.0 109.754 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.01 -40.37 96.2 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.272 -0.893 . . . . 0.0 108.988 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.504 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -62.56 -40.32 96.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.052 . . . . 0.0 110.495 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.42 -2.78 26.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.5 m-20 53.69 50.1 17.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.409 -0.807 . . . . 0.0 110.729 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.73 149.54 46.61 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.319 -0.863 . . . . 0.0 109.517 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 51.1 Cg_exo -48.45 140.32 21.36 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.463 1.442 . . . . 0.0 110.99 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.76 -15.74 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.496 1.464 . . . . 0.0 111.599 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 71.4 t -60.09 -50.69 79.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.883 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.37 -45.39 96.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.898 -1.126 . . . . 0.0 109.674 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.64 96.81 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -62.68 -40.25 96.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.975 -1.078 . . . . 0.0 110.144 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.58 -40.14 95.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.861 -1.149 . . . . 0.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -61.44 -43.69 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.041 -1.037 . . . . 0.0 109.314 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.57 -40.37 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.0 68.71 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.444 0.64 . . . . 0.0 109.696 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -70.68 -39.33 73.59 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.388 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.79 111.59 7.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.066 -1.021 . . . . 0.0 108.57 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -59.85 -40.38 88.37 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.265 -0.897 . . . . 0.0 110.652 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -59.79 -39.24 84.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.033 -1.042 . . . . 0.0 109.852 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -74.24 -34.88 63.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.093 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -79.55 -71.29 0.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -78.19 129.64 35.36 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.205 -0.934 . . . . 0.0 110.148 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.0 -6.51 57.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.96 25.34 75.95 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.52 131.39 34.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.28 -1.129 . . . . 0.0 110.345 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.82 121.41 0.93 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 108.884 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.511 ' O ' ' O ' ' B' ' 50' ' ' MET . 62.9 mtt -90.73 121.18 32.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.958 -1.089 . . . . 0.0 109.656 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -172.44 156.04 3.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 0.0 109.756 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.86 -104.1 2.32 Favored Glycine 0 N--CA 1.504 3.177 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -75.0 155.92 36.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -1.17 . . . . 0.0 109.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -99.55 122.54 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.338 -0.851 . . . . 0.0 109.693 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 t0 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.998 -179.532 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 64.6 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.287 0.565 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.17 -42.19 94.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.307 -0.871 . . . . 0.0 110.532 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.81 -45.79 88.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.136 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.52 95.94 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.61 -39.47 82.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.486 -1.008 . . . . 0.0 110.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.82 -47.11 87.85 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.954 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.03 -40.28 78.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 109.266 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -37.1 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.352 -0.842 . . . . 0.0 110.637 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.36 125.35 23.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.072 -1.017 . . . . 0.0 109.765 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -151.01 -165.18 2.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.44 -0.787 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 13' ' ' GLU . 45.4 mt-10 -70.16 151.48 45.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.479 -0.763 . . . . 0.0 109.67 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 73.1 t60 -63.71 74.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.025 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' GLU . 44.2 mt-10 -92.08 -168.63 2.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.83 -26.23 64.13 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.291 0.567 . . . . 0.0 109.848 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.22 -31.01 68.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.219 -0.926 . . . . 0.0 109.981 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.69 -39.47 88.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.702 -1.249 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -63.66 -40.17 96.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.038 -1.039 . . . . 0.0 109.359 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -91.46 83.43 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.37 -0.831 . . . . 0.0 109.228 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -70.39 -26.22 63.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.117 -0.989 . . . . 0.0 109.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.49 -40.46 91.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.592 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.7 98.25 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.142 -0.973 . . . . 0.0 109.105 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 43.2 ttm -61.76 -47.25 86.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.551 -0.718 . . . . 0.0 109.243 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.4 -40.51 97.4 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.873 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t -67.58 -40.63 84.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 109.773 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 110.488 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -103.16 -3.89 25.18 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.171 -0.956 . . . . 0.0 110.038 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.72 49.88 18.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.43 -0.794 . . . . 0.0 110.642 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -117.97 149.71 45.95 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.282 -0.886 . . . . 0.0 109.431 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 31' ' ' VAL . 52.0 Cg_exo -47.97 140.02 19.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.23 1.286 . . . . 0.0 111.127 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.89 -15.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.456 1.437 . . . . 0.0 111.534 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' B' ' 29' ' ' PRO . 66.2 t -59.77 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.332 -0.855 . . . . 0.0 110.945 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.8 -45.61 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.892 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 110.1 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.83 -39.8 95.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.972 -1.08 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -62.24 -40.04 94.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.992 -1.068 . . . . 0.0 109.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.41 HG22 HD11 ' B' ' 36' ' ' ILE . 83.9 mt -62.7 -41.61 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.008 -1.058 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.64 -40.12 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.29 70.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.516 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -70.16 -39.32 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.533 -0.73 . . . . 0.0 109.814 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.5 112.7 8.79 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.911 -1.118 . . . . 0.0 108.675 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.456 -0.777 . . . . 0.0 110.944 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -60.73 -39.4 88.5 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.024 -1.047 . . . . 0.0 109.801 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.66 -34.69 65.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 110.158 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.71 -71.57 0.44 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 110.564 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 mt -78.64 130.58 36.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.182 -0.949 . . . . 0.0 109.648 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.9 -8.28 54.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.037 -1.039 . . . . 0.0 109.084 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 22.07 78.62 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -81.76 133.27 35.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.077 -1.249 . . . . 0.0 110.173 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.6 124.5 0.96 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.511 ' O ' ' O ' ' A' ' 50' ' ' MET . 63.1 mtt -94.48 119.98 34.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.84 -1.163 . . . . 0.0 109.561 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -172.38 154.97 3.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.052 -1.03 . . . . 0.0 109.624 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 -104.76 2.18 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.32 154.53 38.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.246 . . . . 0.0 109.27 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.34 123.35 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.035 -1.04 . . . . 0.0 109.47 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.979 -179.596 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.97 -40.33 92.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.457 -0.777 . . . . 0.0 110.267 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 23.9 p-10 -65.02 -48.26 74.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.137 -0.977 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' ASP . . . -55.47 -36.75 64.54 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 66.6 mt -65.93 -39.83 85.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.422 -1.046 . . . . 0.0 110.067 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -59.9 -47.25 86.54 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.482 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.49 -40.5 76.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.099 -1.0 . . . . 0.0 109.494 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.67 75.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.72 -0.613 . . . . 0.0 110.053 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 62.8 tt0 -60.76 141.75 56.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.18 -0.95 . . . . 0.0 109.641 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.96 -176.9 4.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.425 -0.797 . . . . 0.0 109.905 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.33 158.09 12.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 110.081 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 71.6 t60 -77.62 73.75 4.19 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.208 -0.932 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -98.82 -160.86 0.83 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.545 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.37 -26.25 64.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 108.892 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -59.89 -37.95 80.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 108.756 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 0.0 108.851 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.6 p -61.2 -41.92 97.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.056 -1.028 . . . . 0.0 108.814 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -97.79 91.53 5.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.384 -0.823 . . . . 0.0 109.195 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -72.91 -24.74 60.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.115 -0.991 . . . . 0.0 109.874 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.4 -41.94 94.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.3 78.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.09 -41.15 99.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.0 109.9 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.01 96.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.296 -0.877 . . . . 0.0 108.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -69.06 -40.05 78.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.782 . . . . 0.0 109.715 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.26 -40.21 93.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.141 -0.974 . . . . 0.0 110.911 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.16 3.72 43.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.106 -0.996 . . . . 0.0 109.694 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m120 53.18 44.64 29.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.817 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.87 151.63 44.92 Favored Pre-proline 0 N--CA 1.501 2.111 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.27 160.01 51.05 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.734 1.623 . . . . 0.0 110.637 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.07 -19.33 26.23 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.125 1.883 . . . . 0.0 111.614 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.71 -50.76 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.866 -1.146 . . . . 0.0 109.948 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.49 -45.47 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.907 -1.121 . . . . 0.0 109.116 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.16 92.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.552 -0.718 . . . . 0.0 109.709 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.26 -40.04 94.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.045 -1.034 . . . . 0.0 109.833 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.1 tm-20 -61.08 -42.04 97.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.833 -1.167 . . . . 0.0 109.978 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.96 -40.77 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 0.0 108.421 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -40.39 87.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.549 -0.719 . . . . 0.0 109.076 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.99 67.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.55 -0.719 . . . . 0.0 110.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.1 m -71.98 -34.91 69.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 109.803 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -73.93 114.92 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.039 -1.038 . . . . 0.0 109.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.251 -0.906 . . . . 0.0 110.485 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.14 -40.57 90.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 110.125 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -78.52 -29.86 46.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.075 -1.015 . . . . 0.0 109.825 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -72.6 -76.03 0.13 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.457 -0.777 . . . . 0.0 110.013 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.43 122.38 21.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 108.532 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -88.09 -8.95 54.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.088 -1.008 . . . . 0.0 109.476 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.82 -178.9 39.6 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' ALA . 98.2 mt-10 51.01 34.51 10.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.94 -1.329 . . . . 0.0 108.4 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . -60.8 -140.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.62 -0.675 . . . . 0.0 110.448 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.559 ' O ' ' O ' ' B' ' 50' ' ' MET . 11.5 tpt -68.81 139.6 55.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.913 . . . . 0.0 110.173 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' B' ' 51' ' ' HIS . 96.9 m-70 -79.14 -37.13 39.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.824 -1.172 . . . . 0.0 109.077 179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.46 -127.96 46.26 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.126 -1.189 . . . . 0.0 110.126 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -149.41 160.05 43.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -1.147 . . . . 0.0 109.586 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.02 139.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 0.0 109.456 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 14.5 p-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.074 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.397 0.618 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.87 -40.05 91.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 110.163 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 24.4 p-10 -65.64 -47.99 73.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.249 -0.907 . . . . 0.0 110.466 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -55.6 -36.72 65.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' B' ' 9' ' ' GLN . 67.3 mt -65.89 -39.76 85.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.394 -1.063 . . . . 0.0 110.289 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -59.8 -47.78 84.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.152 -0.967 . . . . 0.0 109.44 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.17 -40.9 77.84 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.117 -0.989 . . . . 0.0 109.411 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.84 -36.1 75.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.281 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.0 tt0 -60.97 141.57 57.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 109.531 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.03 -176.74 4.29 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.62 0.724 . . . . 0.0 110.197 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.64 157.18 15.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 110.036 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.4 t60 -76.38 73.1 3.15 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -98.62 -161.1 0.85 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.43 -0.794 . . . . 0.0 109.789 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.26 -26.4 64.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.257 -0.902 . . . . 0.0 109.075 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.46 -38.42 80.73 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.34 -0.85 . . . . 0.0 108.979 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.7 p -61.6 -41.98 98.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.915 -1.116 . . . . 0.0 108.775 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -97.5 90.53 5.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.368 -0.832 . . . . 0.0 109.357 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -71.94 -24.92 61.7 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.994 -1.066 . . . . 0.0 109.905 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -60.62 -41.34 94.64 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.192 -0.942 . . . . 0.0 109.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.72 76.46 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.184 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.9 -40.72 98.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.276 -0.89 . . . . 0.0 109.999 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.18 93.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.7 t -69.82 -40.07 76.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.335 -0.853 . . . . 0.0 109.647 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.91 -40.43 93.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.405 -0.809 . . . . 0.0 110.794 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.24 3.6 43.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.131 -0.98 . . . . 0.0 109.531 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m120 53.51 44.56 29.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 109.646 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 mt -114.03 151.45 44.88 Favored Pre-proline 0 N--CA 1.5 2.046 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.91 160.32 50.1 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.66 1.574 . . . . 0.0 110.617 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.45 -18.85 26.71 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.095 1.863 . . . . 0.0 111.655 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.19 -50.35 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.004 -1.06 . . . . 0.0 109.981 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.68 -45.17 81.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.101 -0.999 . . . . 0.0 108.989 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.34 92.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.514 -0.741 . . . . 0.0 109.923 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.86 -40.22 96.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 109.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.7 tm-20 -60.78 -41.79 96.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.961 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.63 -39.98 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 108.622 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.58 -40.94 90.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.21 68.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.461 -0.775 . . . . 0.0 110.074 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 66.4 m -71.85 -35.17 69.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 0.0 109.804 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -73.31 114.65 11.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 109.029 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.55 -40.53 91.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.419 -0.801 . . . . 0.0 110.304 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.08 -40.13 88.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.069 -1.019 . . . . 0.0 110.32 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -78.59 -30.23 46.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.778 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -72.49 -75.89 0.13 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.341 -0.85 . . . . 0.0 109.853 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.52 122.31 21.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.963 -1.085 . . . . 0.0 108.724 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -87.99 -8.88 55.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.927 -1.108 . . . . 0.0 109.552 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.86 39.19 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 49' ' ' ALA . 98.4 mt-10 50.94 34.7 10.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.001 -1.293 . . . . 0.0 108.291 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' B' ' 48' ' ' GLU . . . -60.88 -140.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.357 0.599 . . . . 0.0 110.38 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 50' ' ' MET . 11.1 tpt -68.67 139.55 55.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.459 -0.776 . . . . 0.0 110.01 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 51' ' ' HIS . 96.9 m-70 -79.3 -37.47 37.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.894 -1.129 . . . . 0.0 108.754 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.31 -127.66 45.7 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 0.3 OUTLIER -149.76 160.16 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.468 -1.019 . . . . 0.0 109.456 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -97.69 139.83 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.394 -0.816 . . . . 0.0 109.492 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.334 179.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.565 0.698 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.89 -40.0 91.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.381 -0.824 . . . . 0.0 110.513 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.27 -39.96 93.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.976 -1.078 . . . . 0.0 110.552 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.73 93.6 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.0 mt -67.93 -40.19 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.588 -0.948 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -61.0 -44.6 97.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.031 -1.043 . . . . 0.0 109.371 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.56 -39.96 77.1 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.119 -0.988 . . . . 0.0 108.507 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.88 67.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.536 -0.727 . . . . 0.0 109.893 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.5 tt0 -61.35 140.12 58.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.0 110.01 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.66 166.93 13.69 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLU . 46.1 mt-10 -51.09 148.99 3.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.088 -1.007 . . . . 0.0 110.224 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.9 t60 -63.59 72.58 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.468 -0.77 . . . . 0.0 109.919 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLU . 99.1 mt-10 -88.85 -167.61 1.93 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.266 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.06 -24.79 63.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.379 -0.826 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.02 -32.22 70.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.293 -0.879 . . . . 0.0 110.148 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -60.04 -39.93 87.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.591 -1.318 . . . . 0.0 109.035 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -61.62 -40.57 95.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.0 108.885 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.59 82.87 4.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.363 -0.836 . . . . 0.0 108.91 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.99 -26.85 64.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 0.0 109.718 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.78 -41.1 94.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 0.0 110.29 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.92 99.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.189 -0.944 . . . . 0.0 109.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 50.1 ttp -65.45 -40.67 93.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.632 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.26 96.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.052 -1.03 . . . . 0.0 109.392 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.4 m -67.85 -40.34 83.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.385 -0.822 . . . . 0.0 110.562 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -61.2 -40.21 93.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 110.011 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -98.27 0.49 45.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.407 -0.808 . . . . 0.0 109.648 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 53.75 47.84 22.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.799 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.41 151.53 48.2 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.82 160.07 51.17 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.551 1.5 . . . . 0.0 110.716 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.15 -17.59 15.45 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.375 2.05 . . . . 0.0 111.907 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -49.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 120.581 -1.324 . . . . 0.0 110.007 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.01 -44.71 81.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.991 -1.068 . . . . 0.0 109.175 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.83 97.64 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.22 -39.87 94.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 0.0 109.636 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 7.1 tm-20 -61.78 -40.73 96.21 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.002 -1.061 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.83 -40.05 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.026 -1.046 . . . . 0.0 108.346 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.09 -39.96 85.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.46 -30.88 69.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.439 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.5 m -72.27 -39.89 68.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.579 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.3 t -75.62 109.78 9.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.978 . . . . 0.0 108.77 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.19 -39.96 88.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.383 -0.823 . . . . 0.0 110.846 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -40.02 89.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -75.94 -32.26 59.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.0 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.482 HE21 ' HG3' ' B' ' 44' ' ' GLN . 59.6 tt0 -79.5 -70.86 0.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.365 -0.835 . . . . 0.0 110.998 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -75.98 114.66 14.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.0 109.915 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.15 -15.72 30.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.305 -0.872 . . . . 0.0 108.884 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.6 72.91 0.83 Allowed Glycine 0 N--CA 1.499 2.853 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 5.4 mp0 -89.89 122.94 33.39 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.232 -1.157 . . . . 0.0 109.823 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.12 151.07 20.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.439 -0.788 . . . . 0.0 110.17 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.1 ttm -90.0 -77.7 0.39 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.734 . . . . 0.0 109.877 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' N ' ' A' ' 52' ' ' GLY . 1.4 t-80 -70.3 127.78 33.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.43 -0.794 . . . . 0.0 110.026 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' ' ND1' ' A' ' 51' ' ' HIS . . . -73.74 -156.77 4.34 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -80.01 156.84 26.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -1.215 . . . . 0.0 109.777 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.73 17.85 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.218 -0.926 . . . . 0.0 109.333 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.453 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.541 0.686 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.97 -40.08 92.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.493 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -65.07 -39.97 94.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 110.541 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.86 93.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.2 mt -67.99 -40.07 82.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.714 -0.874 . . . . 0.0 110.258 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.04 -44.79 96.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.01 -1.056 . . . . 0.0 109.339 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.37 -39.99 77.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.192 -0.943 . . . . 0.0 108.492 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.99 -29.91 67.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.533 -0.729 . . . . 0.0 109.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -61.44 140.06 58.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.997 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.64 166.96 13.72 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 13' ' ' GLU . 46.4 mt-10 -51.15 148.64 4.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.116 -0.99 . . . . 0.0 110.226 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.0 t60 -63.27 72.29 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 109.905 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' B' ' 11' ' ' GLU . 99.3 mt-10 -88.42 -167.68 1.96 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.388 -0.82 . . . . 0.0 109.317 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.03 -24.83 63.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.355 -0.841 . . . . 0.0 109.385 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -59.96 -32.34 70.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 110.208 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -59.99 -40.08 87.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.627 -1.295 . . . . 0.0 108.964 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -61.64 -40.31 94.44 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.996 -1.065 . . . . 0.0 108.899 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.55 82.82 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.317 -0.865 . . . . 0.0 108.785 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.96 -26.73 64.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.02 -40.95 95.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.983 . . . . 0.0 110.237 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.14 99.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.945 . . . . 0.0 109.738 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.3 ttp -65.32 -40.62 93.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.325 -0.859 . . . . 0.0 109.545 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.36 96.37 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.947 . . . . 0.0 109.418 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.1 m -67.73 -40.44 84.2 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.624 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -40.33 93.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.149 -0.97 . . . . 0.0 109.981 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -98.3 0.64 45.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.366 -0.834 . . . . 0.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 53.75 47.46 23.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.12 151.36 47.57 Favored Pre-proline 0 N--CA 1.498 1.961 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.85 160.01 51.46 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.609 1.539 . . . . 0.0 110.781 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.09 -17.49 14.86 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.423 2.082 . . . . 0.0 112.042 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -49.9 82.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 120.705 -1.247 . . . . 0.0 110.011 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.36 -44.47 80.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.86 -1.15 . . . . 0.0 109.11 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.56 97.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.345 -0.847 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -64.31 -39.96 94.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.981 -1.074 . . . . 0.0 109.686 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 7.4 tm-20 -61.74 -40.5 95.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 109.904 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.08 -40.02 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.25 -39.88 85.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.534 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.65 -30.88 69.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.579 -0.7 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 70.9 m -72.24 -39.98 68.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.02 -1.05 . . . . 0.0 109.529 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.48 109.82 9.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 108.822 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.913 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.54 -39.97 89.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.0 109.927 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -75.91 -32.36 59.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.905 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 -79.4 -70.86 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 110.977 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.88 114.38 14.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.233 -0.917 . . . . 0.0 109.958 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.05 -15.55 31.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.871 . . . . 0.0 108.89 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 72.94 0.84 Allowed Glycine 0 N--CA 1.499 2.843 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' B' ' 48' ' ' GLU . 5.5 mp0 -89.9 122.9 33.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.282 -1.128 . . . . 0.0 109.827 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.61 150.82 20.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.572 -0.705 . . . . 0.0 110.228 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.2 ttm -90.03 -77.85 0.38 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.544 -0.722 . . . . 0.0 109.751 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' B' ' 52' ' ' GLY . 1.4 t-80 -70.43 127.72 33.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.432 ' N ' ' ND1' ' B' ' 51' ' ' HIS . . . -73.62 -156.91 4.3 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.02 156.89 26.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.06 -1.259 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.3 m -97.02 18.07 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.295 -0.878 . . . . 0.0 109.442 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 117.988 -1.005 . . . . 0.0 109.443 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 52.2 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.497 0.665 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.52 -42.07 98.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 111.238 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.14 -49.49 77.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.807 -1.183 . . . . 0.0 110.968 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.16 88.16 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.6 mt -68.62 -40.99 82.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.47 -1.018 . . . . 0.0 110.224 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.62 -50.13 73.82 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 109.675 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -68.56 -40.12 80.76 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.204 -0.935 . . . . 0.0 108.829 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.98 76.13 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 0.0 109.924 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 30.5 tt0 -61.29 129.95 43.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.297 -0.877 . . . . 0.0 109.209 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.28 -166.89 2.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.528 -0.733 . . . . 0.0 109.334 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' GLU . 58.1 mp0 -70.58 158.79 35.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 108.817 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 t60 -65.01 70.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.657 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 11' ' ' GLU . 53.7 mt-10 -85.94 -165.67 1.31 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.374 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.08 -25.94 63.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 0.0 109.773 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.82 -35.95 75.79 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 109.324 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -60.5 -40.4 91.24 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.31 -47.52 83.93 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.748 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.92 87.11 5.67 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.307 -0.87 . . . . 0.0 109.02 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -70.9 -29.72 65.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.093 -1.004 . . . . 0.0 110.025 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.57 -40.04 90.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.975 . . . . 0.0 109.561 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.17 87.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.95 . . . . 0.0 109.819 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -63.18 -40.26 97.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.167 -0.958 . . . . 0.0 109.998 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.43 -42.22 98.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.971 -1.08 . . . . 0.0 109.368 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -67.65 -40.01 84.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 109.761 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.73 -40.33 91.99 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.484 -0.76 . . . . 0.0 109.8 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.03 0.72 38.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.381 -0.824 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.5 m120 53.51 45.97 27.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -115.45 153.45 47.65 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.58 159.43 53.56 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.34 1.36 . . . . 0.0 110.643 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.88 -20.64 18.34 Favored 'Trans proline' 0 C--N 1.299 -2.029 0 C-N-CA 122.052 1.835 . . . . 0.0 111.821 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.73 -57.61 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.969 -1.082 . . . . 0.0 109.504 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.65 -48.48 87.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.424 -0.797 . . . . 0.0 109.284 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.28 -49.48 77.42 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.387 -0.821 . . . . 0.0 109.899 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.3 -40.41 96.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.932 -1.105 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.7 tm-20 -60.49 -40.96 93.24 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.991 -1.068 . . . . 0.0 110.185 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.68 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.774 -1.204 . . . . 0.0 108.727 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 49.7 t -67.79 -39.39 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -30.2 69.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.391 -0.818 . . . . 0.0 109.936 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 57.8 m -71.57 -32.9 68.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 109.285 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.36 114.6 12.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -40.28 92.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.901 . . . . 0.0 111.142 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.281 -0.887 . . . . 0.0 109.888 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.444 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 95.9 m -72.27 -31.34 65.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.693 HE21 ' CG ' ' B' ' 44' ' ' GLN . 36.8 tt0 -79.35 -70.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.468 -178.189 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.61 140.11 49.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 109.094 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -80.1 -32.15 39.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 110.035 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.72 -135.51 3.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -61.08 137.31 58.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -1.138 . . . . 0.0 109.406 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -106.98 0.1 23.46 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.668 -0.645 . . . . 0.0 110.226 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.0 mtp -112.8 9.07 19.01 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.328 -0.858 . . . . 0.0 110.465 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -149.49 159.15 44.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.861 -1.149 . . . . 0.0 109.9 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.05 -113.21 0.31 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -99.96 12.19 37.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.437 -1.037 . . . . 0.0 109.296 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.79 134.45 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.56 -0.712 . . . . 0.0 109.416 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.691 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.3 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.41 0.624 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.46 -42.83 96.99 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.685 -0.634 . . . . 0.0 111.268 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.76 -49.77 76.15 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.051 . . . . 0.0 111.096 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.09 92.69 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.461 ' O ' ' N ' ' B' ' 9' ' ' GLN . 65.1 mt -67.0 -42.02 88.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.639 -0.918 . . . . 0.0 110.339 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.74 -50.0 75.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.102 -0.999 . . . . 0.0 109.627 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.71 -39.94 80.23 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.139 -0.976 . . . . 0.0 108.844 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.71 75.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.538 -0.726 . . . . 0.0 110.029 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.1 tt0 -61.19 129.93 43.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.132 -0.98 . . . . 0.0 109.344 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -151.38 -167.08 2.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 109.507 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 13' ' ' GLU . 56.4 mp0 -70.17 157.46 37.58 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.497 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.8 t60 -64.29 70.01 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.216 -0.927 . . . . 0.0 109.852 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.2 mt-10 -85.49 -166.33 1.48 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 109.434 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.22 -25.63 63.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -59.52 -36.14 75.52 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.203 -0.936 . . . . 0.0 109.208 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -60.68 -40.24 91.42 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.923 -1.111 . . . . 0.0 108.944 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -63.29 -45.25 92.31 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.789 -1.194 . . . . 0.0 108.78 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -94.16 86.18 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -70.92 -29.13 65.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.0 109.785 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.47 -40.01 92.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.216 -0.928 . . . . 0.0 109.624 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.5 93.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.097 -1.002 . . . . 0.0 109.73 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.7 ttp -64.2 -40.19 95.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.878 . . . . 0.0 109.91 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.08 97.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.031 -1.043 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -68.07 -40.2 82.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.434 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.48 -40.82 92.67 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.462 -0.774 . . . . 0.0 110.021 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -101.09 1.22 39.13 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.505 -0.747 . . . . 0.0 110.034 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 52.82 47.54 24.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.139 -0.975 . . . . 0.0 109.818 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 mt -116.52 152.81 48.64 Favored Pre-proline 0 N--CA 1.498 1.967 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.06 158.91 56.03 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.364 1.376 . . . . 0.0 110.636 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.43 -20.69 16.2 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.151 1.901 . . . . 0.0 111.831 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.38 -58.13 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.785 -1.197 . . . . 0.0 109.588 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.45 -48.78 86.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.379 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.21 -48.74 80.44 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.241 -0.912 . . . . 0.0 109.924 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -63.17 -39.76 95.57 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.905 -1.122 . . . . 0.0 109.729 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.61 -41.26 94.44 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.968 -1.082 . . . . 0.0 110.188 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.67 -40.33 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.914 -1.116 . . . . 0.0 108.57 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 59.7 t -68.05 -39.8 82.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.67 71.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.7 m -71.25 -33.49 69.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.125 -0.984 . . . . 0.0 109.408 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.1 113.97 11.9 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.212 -0.93 . . . . 0.0 108.597 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.6 -40.35 91.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.33 -0.856 . . . . 0.0 110.783 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.33 -39.36 86.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 109.714 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 94.4 m -72.55 -32.76 66.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.113 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.693 ' CG ' HE21 ' A' ' 44' ' ' GLN . 15.1 tt0 -77.74 -70.96 0.44 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.499 -178.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.28 139.92 50.16 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.938 . . . . 0.0 109.193 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -80.1 -31.45 39.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.72 -136.87 4.14 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.07 137.69 58.04 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.055 -1.262 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -109.05 1.44 20.51 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.677 -0.639 . . . . 0.0 109.947 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 88.6 mtp -112.4 7.65 19.23 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -149.45 159.28 44.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.782 -1.198 . . . . 0.0 109.927 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.79 -113.7 0.32 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -99.11 12.14 36.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.264 -1.139 . . . . 0.0 109.307 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.4 p -91.9 134.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.333 -0.854 . . . . 0.0 109.403 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.092 -1.005 . . . . 0.0 109.627 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 61.4 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.484 0.659 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.17 -40.32 93.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.529 -0.732 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.13 -47.81 84.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.215 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -36.19 92.51 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.75 -40.55 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.593 -0.945 . . . . 0.0 110.036 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.98 -47.61 85.11 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.95 -1.094 . . . . 0.0 109.521 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -69.97 -40.28 75.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.157 -0.964 . . . . 0.0 109.801 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.22 70.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 0.0 110.036 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.88 136.13 57.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.909 . . . . 0.0 109.605 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.34 169.66 6.21 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.19 170.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.007 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.1 t60 -74.53 67.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 122.006 0.908 . . . . 0.0 109.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -71.76 173.17 8.56 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.53 -23.97 65.5 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.076 -1.015 . . . . 0.0 108.704 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -59.09 -27.18 65.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.032 -1.043 . . . . 0.0 109.707 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.88 -39.9 86.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 108.882 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.2 p -61.87 -40.24 94.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.864 -1.147 . . . . 0.0 109.177 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.07 83.17 4.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.255 -0.903 . . . . 0.0 109.599 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -71.56 -27.08 62.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.291 -0.881 . . . . 0.0 111.008 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -60.25 -40.43 90.26 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.928 -1.107 . . . . 0.0 110.216 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.81 89.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.11 -0.994 . . . . 0.0 109.171 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.56 -46.22 91.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.424 -0.798 . . . . 0.0 109.625 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.26 97.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.179 -0.951 . . . . 0.0 109.561 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -68.11 -40.31 82.57 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.5 -0.75 . . . . 0.0 110.157 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -40.02 95.49 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.157 -0.965 . . . . 0.0 110.329 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.0 1.7 36.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.208 -0.933 . . . . 0.0 110.237 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 54.01 49.32 19.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.033 -1.042 . . . . 0.0 109.064 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.8 mt -119.3 151.18 50.77 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.4 Cg_endo -68.72 149.69 73.54 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.652 1.568 . . . . 0.0 111.624 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -41.83 -21.77 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.195 1.93 . . . . 0.0 112.696 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -60.02 -50.09 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 111.028 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.31 -45.0 86.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.471 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.3 94.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.208 -0.932 . . . . 0.0 110.355 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.31 -40.07 93.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.954 -1.091 . . . . 0.0 110.091 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.58 -40.9 93.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.038 . . . . 0.0 109.795 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.33 -40.16 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.1 -1.0 . . . . 0.0 108.609 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.18 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.665 -0.647 . . . . 0.0 110.323 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -74.69 -32.34 62.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.064 . . . . 0.0 110.15 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -75.74 113.2 12.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.952 -1.093 . . . . 0.0 108.923 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -61.01 -39.5 89.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.295 -0.878 . . . . 0.0 110.339 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.45 -39.52 87.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.038 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 73.2 m -74.36 -32.42 62.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.893 -1.129 . . . . 0.0 109.746 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.508 HE21 ' CG ' ' B' ' 44' ' ' GLN . 40.9 tt0 -75.88 -74.22 0.23 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.929 . . . . 0.0 110.436 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.04 132.08 41.05 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.034 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -89.35 120.4 30.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -0.925 . . . . 0.0 109.578 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.94 -148.27 0.44 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -94.4 134.24 37.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.106 -1.232 . . . . 0.0 109.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 146.87 47.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.226 -0.921 . . . . 0.0 109.723 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ptp -167.92 143.3 3.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -100.33 -90.09 0.33 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.328 -0.857 . . . . 0.0 110.229 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.94 142.1 17.44 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -109.19 119.51 39.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.242 -1.152 . . . . 0.0 109.643 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.71 129.29 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.311 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.389 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 58.9 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.424 0.631 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.34 -40.46 90.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.453 -0.78 . . . . 0.0 110.139 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.01 -49.01 79.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.997 . . . . 0.0 110.163 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.19 -36.13 89.81 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.46 -40.35 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.34 -1.094 . . . . 0.0 110.414 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.05 -47.49 85.63 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.828 -1.17 . . . . 0.0 109.197 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.76 -40.39 76.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.126 -0.984 . . . . 0.0 109.931 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.39 68.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.316 -0.865 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.92 137.09 58.17 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.322 -0.861 . . . . 0.0 109.635 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -172.74 170.03 4.78 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -48.98 171.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.965 -1.085 . . . . 0.0 110.079 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.0 t60 -74.47 67.7 1.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.891 0.853 . . . . 0.0 109.192 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -71.91 173.1 8.78 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.63 -23.56 65.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.043 -1.036 . . . . 0.0 108.644 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -58.71 -27.98 65.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.119 -0.988 . . . . 0.0 109.809 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.64 -40.26 87.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.8 -1.188 . . . . 0.0 108.822 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.3 p -61.47 -40.25 93.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.887 -1.133 . . . . 0.0 109.017 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.74 83.09 3.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.077 -1.015 . . . . 0.0 109.766 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -70.94 -27.54 63.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 111.084 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.67 -40.05 90.65 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.76 -1.212 . . . . 0.0 110.306 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.06 89.42 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 108.78 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.2 ttm -60.74 -45.82 92.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.971 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -41.08 98.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -0.949 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -68.59 -39.97 80.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.567 -0.708 . . . . 0.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.31 -40.26 95.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.24 -0.913 . . . . 0.0 110.367 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.78 1.58 37.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 54.61 47.03 23.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.93 -1.106 . . . . 0.0 109.304 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 85.2 mt -117.47 150.8 47.26 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.3 Cg_endo -69.21 149.23 70.18 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.678 1.585 . . . . 0.0 111.803 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -40.92 -21.69 0.11 Allowed 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 122.112 1.875 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.6 -50.51 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.939 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.67 -44.86 85.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.524 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.59 95.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.043 -1.036 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -66.14 -39.97 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.915 -1.115 . . . . 0.0 109.982 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.4 tm-20 -60.89 -40.26 92.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 109.554 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.64 -39.98 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.817 -1.177 . . . . 0.0 108.531 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.34 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.13 66.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.699 -0.625 . . . . 0.0 110.352 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 56.0 m -73.87 -32.68 63.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.058 -1.026 . . . . 0.0 110.17 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.27 113.17 12.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 0.0 108.891 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.89 -39.88 90.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.85 . . . . 0.0 110.383 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.77 -39.92 86.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.933 . . . . 0.0 110.224 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 71.7 m -74.27 -32.93 63.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.508 ' CG ' HE21 ' A' ' 44' ' ' GLN . 15.5 tt0 -76.04 -73.39 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 0.0 110.428 -178.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.3 130.94 39.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.085 -1.01 . . . . 0.0 109.087 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -89.05 120.86 30.84 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.163 -0.961 . . . . 0.0 109.618 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.41 -149.13 0.45 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -94.19 136.03 34.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.33 -1.1 . . . . 0.0 109.29 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.72 146.03 46.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.1 ptp -167.63 143.11 3.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.07 -1.018 . . . . 0.0 109.764 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -100.44 -90.1 0.33 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.509 -0.745 . . . . 0.0 110.175 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.17 141.5 16.92 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -108.23 119.92 40.88 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.325 -1.103 . . . . 0.0 109.632 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 12.2 p -103.11 128.03 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.452 -0.78 . . . . 0.0 109.304 179.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.221 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 56.4 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.344 0.592 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.51 -40.3 90.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.737 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 -53.3 52.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.0 110.69 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.74 -34.65 83.19 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 57.3 mt -68.08 -39.93 82.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.997 . . . . 0.0 110.017 179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.06 -46.8 88.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 0.0 109.533 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.77 -40.11 79.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.026 -1.046 . . . . 0.0 108.881 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.37 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.626 -0.671 . . . . 0.0 109.751 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -60.86 136.97 58.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.35 -0.843 . . . . 0.0 109.255 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.92 -169.57 0.9 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.341 -0.849 . . . . 0.0 108.909 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 44.5 tt0 -63.62 149.95 45.29 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 109.884 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 67.8 t60 -64.93 77.11 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 109.596 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.4 mm-40 -88.61 -166.46 1.6 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.492 -0.755 . . . . 0.0 109.693 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.67 64.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.497 -0.752 . . . . 0.0 109.265 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -58.81 -34.16 71.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 109.458 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.885 -1.134 . . . . 0.0 109.206 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.63 -41.83 98.22 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.017 -1.052 . . . . 0.0 108.707 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.26 86.48 4.94 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -70.06 -28.68 65.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 0.0 110.16 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.36 -40.12 93.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.891 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.09 78.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.42 -41.6 98.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 109.616 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -66.54 -40.11 88.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.149 -0.97 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.78 -39.81 76.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.437 -0.79 . . . . 0.0 109.468 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.96 -41.29 91.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.361 -0.837 . . . . 0.0 109.45 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -99.78 -4.09 31.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.333 -0.855 . . . . 0.0 108.759 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 53.38 50.11 18.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.594 -0.691 . . . . 0.0 110.598 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.5 mt -116.08 147.05 38.47 Favored Pre-proline 0 N--CA 1.502 2.173 0 O-C-N 121.36 -0.837 . . . . 0.0 108.844 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.97 156.19 0.5 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.247 1.298 . . . . 0.0 110.931 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.42 -18.77 47.94 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.893 1.729 . . . . 0.0 110.779 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -59.98 -50.22 80.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 110.469 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.97 -49.94 79.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.771 -1.205 . . . . 0.0 108.739 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.87 82.49 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.448 -0.782 . . . . 0.0 109.683 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.64 -40.05 90.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.337 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -59.95 -44.48 94.37 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 109.744 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.71 -46.62 96.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.215 -0.928 . . . . 0.0 108.862 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.3 t -65.62 -40.01 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.185 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.84 -34.46 73.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.443 -0.786 . . . . 0.0 110.235 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.9 m -78.34 -26.16 46.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.061 -1.024 . . . . 0.0 109.852 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.46 116.9 12.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.98 -40.04 87.78 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.456 -0.778 . . . . 0.0 110.749 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.03 -39.14 84.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.094 -1.004 . . . . 0.0 109.208 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.35 -28.38 56.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.78 -76.96 0.11 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 110.553 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.47 118.35 15.27 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.178 -0.952 . . . . 0.0 109.081 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -89.98 -78.74 0.36 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.103 -0.998 . . . . 0.0 109.456 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.39 -171.86 36.71 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -79.08 -9.68 59.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -1.081 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 58.97 30.78 20.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 108.501 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.77 153.18 43.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.595 -0.691 . . . . 0.0 109.64 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.442 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -56.39 -34.62 66.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.884 . . . . 0.0 109.456 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.96 -116.19 4.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -61.38 128.68 37.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 0.0 109.036 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.69 -8.03 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.339 -0.851 . . . . 0.0 108.927 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 C--N 1.298 -1.644 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.453 -179.885 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.2 m-85 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.4 0.619 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.63 -40.17 90.96 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.387 -0.821 . . . . 0.0 110.795 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -64.09 -52.97 56.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 110.624 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -34.76 84.39 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.892 -1.683 . . . . 0.0 108.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 58.1 mt -68.05 -39.96 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.652 -0.911 . . . . 0.0 109.973 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.01 -46.72 88.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 109.581 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.0 -40.17 78.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.015 -1.053 . . . . 0.0 108.784 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.38 77.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.605 -0.685 . . . . 0.0 109.734 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.0 tt0 -60.73 137.01 58.23 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 109.327 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.91 -169.69 0.91 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 108.838 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 13' ' ' GLU . 44.5 tt0 -63.65 150.0 45.25 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.529 -0.732 . . . . 0.0 109.856 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 67.1 t60 -65.05 77.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.728 . . . . 0.0 109.601 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.9 mm-40 -88.57 -166.29 1.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' B' ' 17' ' ' SER . 99.0 mttt -70.0 -26.61 64.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.469 -0.77 . . . . 0.0 109.256 179.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -58.9 -34.16 71.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 93.8 p -63.52 -41.75 98.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.062 -1.024 . . . . 0.0 108.82 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.38 86.4 4.87 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -69.97 -28.74 65.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.41 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.89 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.04 79.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.221 -0.925 . . . . 0.0 109.726 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.53 -40.0 88.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.121 -0.987 . . . . 0.0 109.321 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.99 -39.88 75.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.38 -0.825 . . . . 0.0 109.486 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -99.74 -4.08 31.44 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.5 m-20 53.38 49.85 18.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -115.79 146.98 38.06 Favored Pre-proline 0 N--CA 1.502 2.174 0 O-C-N 121.385 -0.822 . . . . 0.0 108.934 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -45.87 156.0 0.5 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.375 1.383 . . . . 0.0 110.909 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.35 -18.88 47.97 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 121.915 1.744 . . . . 0.0 110.847 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 94.1 t -59.97 -50.33 80.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.482 -0.761 . . . . 0.0 110.486 -178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.7 -50.03 79.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.724 -1.235 . . . . 0.0 108.687 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.96 82.29 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.73 -39.91 90.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 0.0 109.224 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.01 -44.47 94.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.6 -46.58 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.117 -0.989 . . . . 0.0 108.969 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.194 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.92 -34.3 73.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.276 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -78.4 -26.25 46.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.077 -1.014 . . . . 0.0 109.871 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.48 116.97 12.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 108.422 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.03 -40.08 88.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.445 -0.784 . . . . 0.0 110.931 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -59.99 -39.05 84.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -76.34 -28.7 56.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 0.0 109.483 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.33 -77.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.676 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -72.53 118.36 15.34 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.172 -0.955 . . . . 0.0 109.045 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.04 -78.56 0.36 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.183 -0.948 . . . . 0.0 109.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.52 -171.75 36.86 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -79.11 -9.85 59.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -1.078 . . . . 0.0 109.61 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 59.07 30.84 20.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.094 -1.004 . . . . 0.0 108.499 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.92 153.14 44.28 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.667 -0.646 . . . . 0.0 109.597 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 0.5 OUTLIER -56.3 -34.44 66.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -0.838 . . . . 0.0 109.578 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.17 4.2 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -61.32 128.64 37.34 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.208 -1.172 . . . . 0.0 109.023 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.57 -8.1 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.26 -0.9 . . . . 0.0 108.933 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--N 1.299 -1.616 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.531 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.216 0.531 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 90.4 mt -64.79 -40.8 95.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.975 . . . . 0.0 110.63 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.54 -40.35 92.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.928 -1.108 . . . . 0.0 109.986 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.48 -36.83 93.06 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.49 -40.13 83.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.417 -1.049 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.85 84.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.981 -1.075 . . . . 0.0 110.343 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.3 -40.18 77.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.086 . . . . 0.0 109.443 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.45 74.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.492 -0.755 . . . . 0.0 109.441 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.7 138.36 58.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.372 -0.83 . . . . 0.0 109.432 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 40.9 tt0 -169.98 164.33 9.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 108.836 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' GLU . 85.2 mt-10 -40.22 160.19 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.45 -0.781 . . . . 0.0 110.75 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.6 t60 -74.4 72.47 1.84 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.85 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -84.88 -172.59 4.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.565 -0.709 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -67.77 -28.28 67.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -57.69 -32.06 66.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.0 109.121 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -60.06 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 109.386 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -60.39 -40.71 91.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.921 -1.112 . . . . 0.0 109.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -99.75 92.38 5.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.346 -0.846 . . . . 0.0 109.634 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -73.46 -27.78 61.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.002 . . . . 0.0 109.988 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.04 -41.03 91.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.057 -1.027 . . . . 0.0 110.004 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.87 94.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.998 . . . . 0.0 109.132 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.59 -40.52 95.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.846 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.57 96.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.846 -1.158 . . . . 0.0 109.546 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -68.29 -40.09 81.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.11 -40.47 89.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 110.372 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -101.27 0.05 36.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.186 -0.946 . . . . 0.0 109.857 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 54.51 39.97 31.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.344 -0.848 . . . . 0.0 110.359 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.6 mt -106.89 150.74 40.13 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.6 Cg_endo -69.24 149.3 70.06 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 121.35 1.367 . . . . 0.0 111.308 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.27 -23.28 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.176 1.918 . . . . 0.0 112.423 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 92.4 t -57.11 -57.16 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.68 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.79 -44.37 98.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.081 -1.012 . . . . 0.0 109.047 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.61 -48.62 80.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.299 -0.876 . . . . 0.0 109.761 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.87 -39.97 93.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 110.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.27 -40.09 92.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.939 -1.1 . . . . 0.0 109.526 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.93 -40.0 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.8 -40.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.93 68.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -72.02 -38.13 69.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.75 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.66 113.27 11.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 108.925 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.71 -40.03 90.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.267 -0.895 . . . . 0.0 110.695 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -60.97 -39.99 91.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.287 -0.883 . . . . 0.0 110.685 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.53 -33.42 60.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.95 -1.094 . . . . 0.0 110.091 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.698 HE21 ' CG ' ' B' ' 44' ' ' GLN . 50.3 tt0 -79.24 -70.14 0.53 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.49 -178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -72.24 134.21 45.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.832 . . . . 0.0 109.843 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -92.04 -155.75 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 154.03 14.61 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.77 139.89 56.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.099 -1.236 . . . . 0.0 109.644 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.41 130.41 34.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.298 -0.876 . . . . 0.0 109.169 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -137.31 29.15 2.74 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.338 -0.851 . . . . 0.0 110.121 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.692 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 81.4 t60 49.76 -174.91 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.174 -0.954 . . . . 0.0 109.975 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.692 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -77.64 151.77 38.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -93.94 135.95 34.74 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.44 -1.035 . . . . 0.0 109.692 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m -99.7 138.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.361 -0.837 . . . . 0.0 109.463 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.421 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.221 0.534 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . 0.448 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 90.4 mt -64.62 -40.8 96.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.921 . . . . 0.0 110.712 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.49 -40.22 92.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.899 -1.126 . . . . 0.0 110.031 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -36.92 92.99 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.26 -40.22 84.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.402 -1.058 . . . . 0.0 110.183 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.8 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.082 . . . . 0.0 110.307 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.43 -40.18 77.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.961 -1.087 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.5 74.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.479 -0.763 . . . . 0.0 109.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.58 138.43 58.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 109.437 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -170.0 164.47 9.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.419 -0.801 . . . . 0.0 108.908 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -40.33 160.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -74.28 72.2 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.468 -0.77 . . . . 0.0 109.85 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -84.59 -172.58 4.25 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.486 -0.759 . . . . 0.0 109.704 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -67.79 -28.3 67.48 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -57.69 -32.05 66.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.126 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.98 -40.19 88.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.998 -1.064 . . . . 0.0 109.336 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -60.25 -40.75 91.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.937 -1.102 . . . . 0.0 109.165 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -99.9 92.45 5.29 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.391 -0.818 . . . . 0.0 109.514 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -73.5 -27.62 61.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.059 -1.025 . . . . 0.0 110.02 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.07 . . . . 0.0 110.061 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.96 94.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.019 -1.051 . . . . 0.0 109.171 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.53 -40.58 95.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.731 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.879 -1.138 . . . . 0.0 109.587 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -68.41 -40.06 81.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.417 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.18 -40.35 89.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.437 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -101.43 0.27 36.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.269 -0.895 . . . . 0.0 109.77 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.43 40.02 31.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.438 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -107.0 150.79 40.25 Favored Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.0 Cg_endo -69.31 149.31 69.58 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 121.339 1.36 . . . . 0.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.2 -23.41 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.164 1.91 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 94.8 t -57.06 -57.16 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.962 . . . . 0.0 110.741 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.78 -44.44 98.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.087 -1.008 . . . . 0.0 109.077 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.52 80.53 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 0.0 109.785 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.9 -40.02 93.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 110.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.17 -40.13 92.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.042 -1.036 . . . . 0.0 109.586 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.99 -39.93 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.77 -40.0 87.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.09 68.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.593 -0.692 . . . . 0.0 109.684 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -71.81 -38.17 70.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.833 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -74.66 113.19 11.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.67 -40.09 90.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.215 -0.928 . . . . 0.0 110.599 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.95 -40.0 91.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 110.675 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -75.56 -33.5 60.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 110.007 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.698 ' CG ' HE21 ' A' ' 44' ' ' GLN . 11.6 tt0 -79.05 -70.24 0.52 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.195 -0.94 . . . . 0.0 110.48 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt -72.2 134.16 45.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -0.823 . . . . 0.0 109.942 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -91.97 -155.63 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.318 -0.864 . . . . 0.0 108.878 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.98 154.22 14.71 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.838 -1.705 . . . . 0.0 108.838 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.96 139.84 56.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.109 -1.23 . . . . 0.0 109.651 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.36 130.34 34.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.257 -0.902 . . . . 0.0 109.157 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -137.15 29.12 2.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.358 -0.839 . . . . 0.0 110.171 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.686 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 81.5 t60 49.67 -174.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.686 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . -77.54 151.47 38.0 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -93.62 136.5 33.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.334 -1.098 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m -100.18 138.7 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.478 -0.764 . . . . 0.0 109.313 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.498 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.493 0.664 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.54 -39.98 93.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.542 -0.724 . . . . 0.0 110.437 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.42 -40.76 93.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.023 -1.048 . . . . 0.0 110.224 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.96 96.07 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 HG22 HD11 ' A' ' 5' ' ' ILE . 81.0 mt -66.31 -40.11 85.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.691 -0.888 . . . . 0.0 110.331 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.02 -42.19 93.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.33 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.68 -40.0 76.64 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.89 -1.132 . . . . 0.0 108.661 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.66 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.369 0.604 . . . . 0.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.98 136.11 57.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 0.0 109.971 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 20.4 tt0 -158.66 -151.27 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 10' ' ' GLU . 52.6 mt-10 -80.93 157.94 25.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.111 -0.993 . . . . 0.0 109.704 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -78.29 72.88 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 108.884 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.34 -149.41 0.37 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.478 -0.764 . . . . 0.0 109.848 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' O ' ' OG ' ' A' ' 17' ' ' SER . 9.9 mtpm? -69.98 -32.77 71.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.456 -0.778 . . . . 0.0 109.838 -179.608 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -60.07 -39.53 86.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.789 -1.195 . . . . 0.0 109.212 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.582 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 94.9 p -60.53 -42.79 97.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.856 -1.153 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.582 ' N ' ' HG ' ' A' ' 17' ' ' SER . 22.5 m120 -96.11 88.59 4.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.153 -0.967 . . . . 0.0 109.4 179.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -69.95 -28.84 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.962 -1.086 . . . . 0.0 109.416 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.5 -40.36 91.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.98 . . . . 0.0 109.547 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.54 -43.84 96.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.386 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.67 98.9 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.34 -0.85 . . . . 0.0 109.198 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -40.1 80.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 109.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.88 -40.28 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.357 -0.839 . . . . 0.0 110.491 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.45 -0.63 34.92 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 56.36 41.44 29.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.534 -0.729 . . . . 0.0 110.049 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -113.27 151.04 43.98 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.1 Cg_endo -69.67 150.11 68.3 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.605 1.536 . . . . 0.0 111.841 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.25 -21.15 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.404 2.069 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -60.03 -50.01 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 111.157 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.51 -40.44 79.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.783 -1.198 . . . . 0.0 109.781 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.921 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -61.23 -38.79 87.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.098 -1.001 . . . . 0.0 110.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 11.2 tm-20 -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 109.681 -179.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.88 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.864 -1.148 . . . . 0.0 108.516 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.33 -40.06 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.71 77.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 109.464 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.43 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 67.8 m -72.0 -39.58 69.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.214 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.3 t -75.71 106.72 7.43 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -59.92 -39.73 86.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.482 -0.761 . . . . 0.0 110.463 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -59.94 -40.05 87.66 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.26 -0.9 . . . . 0.0 109.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.5 m -75.03 -36.94 61.87 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.768 -1.207 . . . . 0.0 109.812 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.625 HE21 ' CG ' ' B' ' 44' ' ' GLN . 59.3 tt0 -75.79 -75.85 0.17 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 0.0 110.576 -178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.0 139.63 50.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 0.0 109.501 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -94.04 -19.02 21.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.72 -11.17 62.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -84.54 -11.64 55.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -1.12 . . . . 0.0 109.535 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -64.38 -11.95 37.87 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.162 -0.961 . . . . 0.0 110.357 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.427 ' O ' ' O ' ' B' ' 50' ' ' MET . 68.0 mtt -60.2 -111.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.102 -0.999 . . . . 0.0 110.579 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.55 130.69 34.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.3 -79.11 1.15 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -152.34 117.75 5.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -1.135 . . . . 0.0 108.765 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.0 m -105.02 135.86 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.37 -0.831 . . . . 0.0 109.704 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.434 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.586 0.708 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.73 -40.05 93.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.43 -0.794 . . . . 0.0 110.415 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.4 -40.97 94.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.254 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.35 -39.24 95.88 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -39.98 85.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.662 -0.905 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -59.99 -42.25 93.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.036 -1.04 . . . . 0.0 110.324 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 -40.0 76.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.843 -1.16 . . . . 0.0 108.647 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.79 75.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 110.289 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.86 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.328 -0.857 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' B' ' 11' ' ' GLU . 20.8 tt0 -158.97 -151.06 0.26 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.403 ' H ' ' HG2' ' B' ' 10' ' ' GLU . 51.9 mt-10 -80.88 158.24 25.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.022 -1.049 . . . . 0.0 109.697 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -78.59 72.6 5.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 108.883 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 10.7 tt0 -100.29 -149.4 0.37 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.462 -0.774 . . . . 0.0 109.866 -179.276 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 10.0 mtpm? -70.05 -32.74 70.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.428 -0.795 . . . . 0.0 109.823 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -60.03 -39.76 87.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -60.0 -40.04 87.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.823 -1.173 . . . . 0.0 109.209 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.614 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 90.9 p -60.28 -42.68 95.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.841 -1.162 . . . . 0.0 109.199 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.614 ' N ' ' HG ' ' B' ' 17' ' ' SER . 22.2 m120 -96.31 88.77 4.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.128 -0.983 . . . . 0.0 109.282 179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -70.06 -28.58 65.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.956 -1.09 . . . . 0.0 109.393 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -60.77 -40.19 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.98 94.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -60.55 -43.9 96.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.442 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.75 98.85 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 109.247 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.67 -39.94 80.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.01 -40.6 94.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.538 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.01 -0.78 35.85 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.341 -0.85 . . . . 0.0 110.184 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 56.48 41.45 28.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.955 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.24 150.9 43.77 Favored Pre-proline 0 N--CA 1.501 2.09 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.0 Cg_endo -69.6 150.23 68.9 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.657 1.571 . . . . 0.0 111.819 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -41.35 -21.06 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.279 1.986 . . . . 0.0 112.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.01 -50.03 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 111.207 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.48 -40.71 80.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 120.824 -1.172 . . . . 0.0 109.675 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.02 89.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -61.25 -38.62 87.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.085 -1.009 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 11.1 tm-20 -60.06 -41.51 92.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.892 -1.13 . . . . 0.0 109.576 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.83 -40.07 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.27 -39.96 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.487 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.62 -37.89 77.0 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.669 -0.645 . . . . 0.0 109.513 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 68.0 m -71.78 -39.66 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.194 -0.941 . . . . 0.0 109.252 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -75.69 106.84 7.47 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -60.05 -39.78 87.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.542 -0.724 . . . . 0.0 110.422 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 109.781 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.0 m -74.99 -37.06 61.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.778 -1.201 . . . . 0.0 109.819 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.625 ' CG ' HE21 ' A' ' 44' ' ' GLN . 7.3 tt0 -75.66 -75.95 0.17 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.595 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.2 mt -71.02 139.73 50.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 109.471 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -94.13 -18.99 21.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 109.288 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.51 -11.23 61.93 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -84.28 -11.47 56.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -1.136 . . . . 0.0 109.499 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -64.46 -12.0 39.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.938 . . . . 0.0 110.279 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' MET . 68.0 mtt -60.22 -111.26 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.063 -1.023 . . . . 0.0 110.706 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.59 131.17 34.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.946 . . . . 0.0 109.864 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.73 -79.47 1.16 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -152.06 117.87 5.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -1.114 . . . . 0.0 108.789 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -105.1 136.08 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.362 -0.836 . . . . 0.0 109.694 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.437 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.597 0.713 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.44 -42.32 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.965 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 1.1 p30 -60.82 -47.77 84.86 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.179 -0.95 . . . . 0.0 110.573 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.99 -39.44 94.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.0 -39.82 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.713 -0.875 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 35.7 t0 -60.27 -48.11 83.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.278 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.12 -40.02 82.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.357 -0.839 . . . . 0.0 109.072 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.27 67.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.536 -0.727 . . . . 0.0 110.073 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.11 140.04 57.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.117 -0.99 . . . . 0.0 109.098 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -168.53 160.22 10.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 108.995 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -46.28 162.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.96 . . . . 0.0 109.898 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -74.95 79.6 2.17 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.729 . . . . 0.0 109.625 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.33 -160.17 0.78 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.566 -0.709 . . . . 0.0 109.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.86 -27.91 65.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 109.495 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.92 -38.43 82.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 109.394 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -60.23 -39.81 88.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.727 -1.233 . . . . 0.0 109.066 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -63.82 -41.09 97.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.822 -1.174 . . . . 0.0 109.171 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -96.06 83.31 3.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.003 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -70.13 -27.96 64.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.183 -0.948 . . . . 0.0 109.877 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.47 -40.58 91.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.996 -1.065 . . . . 0.0 109.813 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.37 97.02 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.147 -0.971 . . . . 0.0 109.819 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.9 ttp -60.91 -41.3 95.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.0 109.74 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.48 95.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.349 -0.844 . . . . 0.0 109.721 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -67.98 -39.81 83.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.868 . . . . 0.0 110.362 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.73 -39.76 89.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.897 . . . . 0.0 109.892 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -100.71 2.35 41.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.636 -0.665 . . . . 0.0 109.615 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 51.75 46.19 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.76 150.37 43.26 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' VAL . 44.1 Cg_endo -69.3 149.74 70.18 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.631 1.554 . . . . 0.0 111.218 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.86 -17.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.065 1.844 . . . . 0.0 112.602 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.6 t -60.29 -50.42 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.896 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.5 -42.52 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 120.824 -1.172 . . . . 0.0 109.079 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.93 95.51 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.616 -0.677 . . . . 0.0 109.647 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.55 -40.57 97.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.33 -40.35 93.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.982 -1.074 . . . . 0.0 109.219 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.43 -41.03 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 108.257 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.36 -40.26 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.476 -0.765 . . . . 0.0 109.076 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.51 68.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.391 -0.818 . . . . 0.0 109.744 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.3 m -72.96 -39.95 65.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 t -75.52 116.06 15.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.999 -1.063 . . . . 0.0 109.174 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -60.59 -40.12 90.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.142 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -60.66 -41.0 94.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 110.286 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 m -77.86 -28.66 50.1 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.148 -0.97 . . . . 0.0 109.976 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.87 -71.85 0.38 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.215 -0.928 . . . . 0.0 110.574 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.17 139.77 52.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.938 -1.101 . . . . 0.0 109.124 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -86.43 -17.38 34.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.452 -0.78 . . . . 0.0 109.856 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.03 -169.04 24.81 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' ALA . 43.4 tt0 -78.86 -10.6 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.495 -1.003 . . . . 0.0 109.359 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' GLU . . . 78.5 80.92 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.418 ' HG2' ' H ' ' A' ' 52' ' ' GLY . 55.0 ttp -156.61 115.64 3.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.153 -0.967 . . . . 0.0 110.005 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 51' ' ' HIS . 15.5 t-160 -88.29 13.46 11.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.507 -0.746 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -43.86 -95.82 0.01 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 59.59 18.99 7.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -1.205 . . . . 0.0 108.454 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.03 143.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.481 -0.762 . . . . 0.0 109.748 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.604 -179.7 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.521 0.677 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.6 -42.3 96.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.066 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 1.2 p30 -60.61 -48.76 80.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 110.537 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.57 -39.14 92.83 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.412 HG22 HD11 ' B' ' 5' ' ' ILE . 74.0 mt -66.18 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.583 -0.951 . . . . 0.0 110.156 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -60.65 -46.56 89.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.21 -0.931 . . . . 0.0 109.346 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.91 -40.28 79.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.01 67.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.744 -0.597 . . . . 0.0 110.155 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.0 tt0 -60.04 138.82 57.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 109.149 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -167.47 160.9 13.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.482 -0.761 . . . . 0.0 109.19 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -46.81 162.09 0.05 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.273 -0.892 . . . . 0.0 109.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.75 78.32 2.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.478 -0.764 . . . . 0.0 109.869 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.45 -160.52 0.8 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.458 -0.776 . . . . 0.0 110.079 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -69.48 -27.9 65.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.19 -38.23 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.359 -0.838 . . . . 0.0 109.333 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -59.95 -39.92 87.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.867 -1.145 . . . . 0.0 109.024 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -64.55 -40.59 95.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.976 -1.077 . . . . 0.0 109.061 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -96.33 83.33 3.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -70.0 -28.66 65.69 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.96 . . . . 0.0 109.83 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.59 -40.2 90.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.174 -0.954 . . . . 0.0 109.764 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.06 97.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.769 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.2 ttp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 109.821 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.86 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.42 -0.8 . . . . 0.0 109.903 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -68.15 -40.19 82.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.409 -0.807 . . . . 0.0 110.254 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -60.85 -40.05 91.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -99.65 1.78 43.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.389 -0.819 . . . . 0.0 109.401 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 52.64 46.92 25.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -114.85 149.92 43.23 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.6 Cg_endo -68.71 149.61 73.53 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.589 1.526 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.15 -17.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.963 1.775 . . . . 0.0 112.476 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.1 t -60.23 -50.24 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.866 -1.146 . . . . 0.0 110.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.83 -42.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.004 -1.06 . . . . 0.0 108.798 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.69 92.84 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.57 -0.706 . . . . 0.0 109.715 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.66 -39.97 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.989 -1.069 . . . . 0.0 109.822 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.7 tm-20 -61.2 -40.52 94.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.884 -1.135 . . . . 0.0 109.128 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.41 HD11 HG22 ' B' ' 36' ' ' ILE . 94.5 mt -61.52 -40.8 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.985 -1.072 . . . . 0.0 108.463 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.42 -39.9 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.449 -0.782 . . . . 0.0 109.208 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.42 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.6 -30.47 68.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.445 -0.785 . . . . 0.0 109.713 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.412 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 59.9 m -72.37 -39.97 67.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 0.0 110.195 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.8 t -76.25 115.6 16.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.061 -1.025 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.22 -40.36 89.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -0.787 . . . . 0.0 110.476 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.3 -40.58 91.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.9 m -78.63 -29.06 45.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.041 -1.037 . . . . 0.0 110.061 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 21.7 tt0 -76.01 -71.81 0.36 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.346 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.87 138.67 52.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.134 -0.979 . . . . 0.0 109.221 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -85.55 -15.24 43.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 109.802 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.17 -170.74 31.48 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' B' ' 49' ' ' ALA . 43.3 tt0 -75.91 -12.3 60.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.511 -0.993 . . . . 0.0 109.763 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' B' ' 48' ' ' GLU . . . 79.04 81.28 0.06 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 56.4 ttp -156.64 116.58 3.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.971 -1.081 . . . . 0.0 110.128 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' B' ' 51' ' ' HIS . 16.1 t-160 -88.41 13.45 11.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . -44.48 -96.41 0.01 OUTLIER Glycine 0 N--CA 1.493 2.436 0 O-C-N 121.099 -1.0 . . . . 0.0 110.801 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 60.06 19.4 8.58 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.343 -1.092 . . . . 0.0 108.137 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -102.64 143.3 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.496 -0.753 . . . . 0.0 109.919 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.5 -179.753 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.566 0.698 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.77 -40.42 92.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.614 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.24 -51.45 60.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.269 -0.895 . . . . 0.0 110.732 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.98 67.49 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.681 -1.767 . . . . 0.0 108.681 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -69.33 -40.3 79.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.536 -0.979 . . . . 0.0 109.423 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.97 -48.63 80.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.95 . . . . 0.0 109.898 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -66.8 -40.75 88.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.025 -1.047 . . . . 0.0 108.964 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.69 73.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.221 -0.924 . . . . 0.0 109.791 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.5 tt0 -62.96 125.23 23.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 110.159 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -151.47 -165.39 2.23 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' GLU . 74.4 mm-40 -74.41 157.8 35.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 78.4 t60 -65.04 69.78 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.987 -1.071 . . . . 0.0 110.018 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 11' ' ' GLU . 22.3 tt0 -79.82 -179.92 7.2 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' H ' ' CG ' ' A' ' 13' ' ' GLU . 62.6 mttm -64.17 -26.21 68.42 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.051 -1.031 . . . . 0.0 109.325 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -59.92 -29.86 68.66 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.879 -1.138 . . . . 0.0 109.192 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.83 -37.48 79.31 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.1 p -59.75 -46.61 88.62 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.984 -1.073 . . . . 0.0 108.502 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -94.05 87.55 5.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 108.776 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -69.77 -26.2 64.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.109 -0.994 . . . . 0.0 109.519 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.47 -40.26 90.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 109.868 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.99 92.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.5 ttm -60.49 -45.09 95.06 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.174 -0.954 . . . . 0.0 109.151 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.23 -42.44 99.23 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.398 -0.814 . . . . 0.0 109.359 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.3 t -68.47 -40.32 81.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.131 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.56 -40.05 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.424 -0.798 . . . . 0.0 110.133 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -101.84 3.05 38.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.454 -0.778 . . . . 0.0 109.706 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m120 55.37 42.68 29.9 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.299 -0.876 . . . . 0.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.8 mt -112.77 150.36 42.64 Favored Pre-proline 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -68.93 147.74 68.85 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.771 1.648 . . . . 0.0 111.801 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 -20.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 122.362 2.041 . . . . 0.0 112.315 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -59.76 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.451 -0.78 . . . . 0.0 110.695 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.86 -42.55 85.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.0 92.91 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.785 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.27 -39.95 92.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.58 -44.0 96.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.088 -1.007 . . . . 0.0 109.571 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.34 -40.17 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.63 -39.91 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.645 ' HA ' HE21 ' A' ' 44' ' ' GLN . . . -64.53 -39.89 94.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.639 -0.663 . . . . 0.0 110.293 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -71.65 -38.89 70.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.03 -1.044 . . . . 0.0 109.571 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -75.67 102.87 5.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.985 -1.072 . . . . 0.0 108.642 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -60.81 -39.29 88.41 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.84 -0.538 . . . . 0.0 110.595 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.213 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.72 -61.51 1.81 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 110.826 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.645 HE21 ' HA ' ' A' ' 38' ' ' ALA . 11.3 tt0 -73.62 -58.98 2.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 111.47 -177.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.14 137.07 44.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.039 -1.038 . . . . 0.0 110.2 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -88.86 150.46 22.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.0 -82.99 0.02 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 121.351 -0.843 . . . . 0.0 111.003 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.0 118.94 18.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.221 -1.164 . . . . 0.0 109.085 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' MET . . . -99.98 100.41 11.3 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.399 -0.813 . . . . 0.0 111.066 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' ALA . 20.8 ttt 39.8 52.22 2.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 178.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' B' ' 51' ' ' HIS . 54.0 t-80 -60.0 -39.84 87.16 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.88 -1.137 . . . . 0.0 108.974 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.28 159.61 9.95 Favored Glycine 0 N--CA 1.501 2.981 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -97.42 8.84 43.82 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.48 -1.011 . . . . 0.0 109.405 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.1 m -99.81 129.0 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.572 -0.705 . . . . 0.0 109.343 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.409 -179.421 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.559 0.695 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -40.07 94.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.09 -51.12 63.26 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.51 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.66 73.51 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 108.521 -1.831 . . . . 0.0 108.521 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.2 mt -69.03 -40.09 80.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 O-C-N 121.696 -0.885 . . . . 0.0 109.735 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -49.28 78.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.122 -0.986 . . . . 0.0 109.452 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -65.89 -41.6 91.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.882 . . . . 0.0 109.015 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -35.7 73.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.749 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 7.5 tt0 -63.54 126.07 26.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.052 -1.03 . . . . 0.0 109.591 -178.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -152.04 -166.5 2.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.466 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 13' ' ' GLU . 73.2 mm-40 -73.1 156.77 38.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.853 . . . . 0.0 109.008 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.4 t60 -64.94 70.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.708 -1.245 . . . . 0.0 109.96 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' B' ' 11' ' ' GLU . 19.7 tt0 -80.05 -179.47 7.04 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.491 ' H ' ' CG ' ' B' ' 13' ' ' GLU . 60.7 mttm -64.55 -26.15 68.29 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.954 . . . . 0.0 109.307 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.16 -29.2 68.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.038 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.807 -1.183 . . . . 0.0 108.439 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -59.46 -47.3 86.03 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.946 -1.096 . . . . 0.0 108.725 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -93.84 88.06 5.63 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.048 -1.033 . . . . 0.0 108.823 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -70.0 -25.76 63.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 109.427 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.84 -39.81 90.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.91 91.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.986 -1.071 . . . . 0.0 109.097 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.39 -45.72 92.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 108.953 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.619 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -68.44 -40.42 81.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.495 -0.753 . . . . 0.0 110.353 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.92 -39.93 91.27 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.357 -0.839 . . . . 0.0 110.246 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -101.76 3.65 39.72 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.498 -0.752 . . . . 0.0 109.745 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m120 54.72 43.0 30.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 73.3 mt -113.13 150.36 42.84 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.87 148.17 63.78 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.371 1.381 . . . . 0.0 111.679 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -39.82 -20.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.374 2.049 . . . . 0.0 112.296 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.3 t -59.58 -50.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.165 -0.96 . . . . 0.0 110.807 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.77 -42.8 86.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.939 -1.101 . . . . 0.0 109.285 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.35 94.18 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.118 -0.989 . . . . 0.0 109.649 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.09 -39.81 91.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.98 -1.075 . . . . 0.0 110.135 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.67 -43.59 97.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.005 -1.059 . . . . 0.0 109.936 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.777 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.26 -39.89 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.72 93.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.667 -0.646 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -71.15 -39.57 71.86 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.667 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.7 103.05 5.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.096 -1.002 . . . . 0.0 108.452 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.825 -0.547 . . . . 0.0 110.668 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -58.74 -34.97 71.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.906 -1.121 . . . . 0.0 109.154 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.82 -61.9 1.68 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.17 -0.956 . . . . 0.0 110.92 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 52.2 tt0 -74.17 -58.01 3.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.089 -1.007 . . . . 0.0 111.678 -177.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.0 136.03 45.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.904 -1.122 . . . . 0.0 110.377 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -88.43 149.12 23.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.29 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 -84.46 0.01 OUTLIER Glycine 0 N--CA 1.498 2.799 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.31 119.59 18.71 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.303 -1.116 . . . . 0.0 109.328 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' B' ' 50' ' ' MET . . . -100.06 101.21 12.22 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.151 -0.968 . . . . 0.0 110.968 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.414 ' C ' ' O ' ' B' ' 49' ' ' ALA . 21.4 ttt 39.57 51.92 2.32 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.211 -0.931 . . . . 0.0 111.259 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 51' ' ' HIS . 53.5 t-80 -60.01 -40.37 89.01 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.937 -1.102 . . . . 0.0 109.07 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 157.97 9.1 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -96.68 9.59 41.18 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.432 -1.04 . . . . 0.0 109.449 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -100.48 129.51 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 CA-C-O 121.638 0.732 . . . . 0.0 109.595 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.893 -1.051 . . . . 0.0 109.227 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.08 -39.47 86.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 110.379 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.79 -42.21 99.6 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.506 -0.746 . . . . 0.0 110.713 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.78 96.64 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.95 -40.57 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.888 . . . . 0.0 110.593 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.24 -47.65 85.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 0.0 109.712 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -68.62 -40.1 80.5 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.239 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.44 82.17 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.588 -0.695 . . . . 0.0 110.653 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -64.65 136.27 56.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.989 -1.069 . . . . 0.0 109.991 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -162.11 -173.81 3.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.58 149.71 38.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -67.55 81.96 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.019 0.914 . . . . 0.0 108.799 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -97.06 -162.63 0.97 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.706 . . . . 0.0 109.217 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -68.11 -30.07 69.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.942 -1.099 . . . . 0.0 108.712 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -59.77 -35.16 74.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.597 -0.689 . . . . 0.0 110.029 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -60.57 -40.39 91.48 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.109 -0.994 . . . . 0.0 109.023 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -97.85 90.18 4.85 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -69.71 -28.64 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.707 -1.246 . . . . 0.0 109.026 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.18 -40.22 93.11 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.505 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.92 99.11 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.57 -1.331 . . . . 0.0 109.664 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.14 -40.23 95.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.847 -1.158 . . . . 0.0 109.623 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.25 98.35 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.184 -0.948 . . . . 0.0 109.404 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.03 -39.75 75.57 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.701 -0.625 . . . . 0.0 110.208 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -61.49 -39.85 92.45 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.12 -0.987 . . . . 0.0 109.66 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -99.6 1.31 43.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.538 -0.726 . . . . 0.0 109.69 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 52.64 48.89 21.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.621 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.1 mt -117.85 150.2 46.69 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.8 Cg_endo -70.14 149.07 63.95 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.544 1.496 . . . . 0.0 111.117 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -41.87 -21.04 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.045 1.83 . . . . 0.0 113.016 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.6 t -59.63 -50.61 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.543 -1.348 . . . . 0.0 110.363 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.06 -40.99 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.039 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.65 98.0 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.974 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -61.91 -39.87 93.49 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.121 -0.987 . . . . 0.0 109.891 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 15.2 tm-20 -59.88 -40.53 89.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.857 -1.152 . . . . 0.0 110.009 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.91 -40.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.46 -39.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.55 79.32 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.45 -0.781 . . . . 0.0 108.945 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.409 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 54.5 m -72.5 -40.1 67.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.066 -1.021 . . . . 0.0 109.937 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 t -74.12 111.56 9.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.385 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.62 -40.13 93.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.076 -1.015 . . . . 0.0 110.251 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -59.62 -39.8 85.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.395 -0.815 . . . . 0.0 109.753 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -75.75 -33.5 60.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.008 -1.057 . . . . 0.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.585 HE21 ' HG3' ' B' ' 44' ' ' GLN . 59.2 tt0 -75.07 -78.16 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.678 -1.264 . . . . 0.0 110.68 -178.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.17 121.67 18.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.686 -1.259 . . . . 0.0 108.341 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -90.1 -79.9 0.33 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.997 -1.064 . . . . 0.0 109.961 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.21 148.6 26.94 Favored Glycine 0 N--CA 1.498 2.794 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -79.86 155.36 27.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.002 -1.293 . . . . 0.0 109.431 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.31 141.08 15.73 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.058 -1.026 . . . . 0.0 110.142 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' B' ' 50' ' ' MET . 67.0 mtt -82.88 132.87 35.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.485 -0.76 . . . . 0.0 109.783 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -157.03 159.43 37.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.419 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.45 12.47 84.27 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.13 133.63 36.74 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.95 -1.323 . . . . 0.0 110.233 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 t -141.71 23.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.0 t0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.605 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.32 -39.93 92.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.557 -0.715 . . . . 0.0 110.175 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.71 -44.25 96.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.549 -0.72 . . . . 0.0 110.109 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.76 97.54 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.85 -39.57 85.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.428 -1.042 . . . . 0.0 110.523 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.72 -49.92 75.87 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.258 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.19 -39.93 86.46 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.082 -1.011 . . . . 0.0 109.138 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.26 80.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.91 136.6 57.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.657 -1.277 . . . . 0.0 109.451 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -161.99 -172.97 3.46 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 35.7 tt0 -63.44 148.09 49.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.27 -0.894 . . . . 0.0 109.194 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -65.38 79.4 0.06 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.294 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 68.2 mt-10 -94.39 -161.66 0.87 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.575 -0.703 . . . . 0.0 109.126 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -68.82 -30.03 68.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.51 -0.744 . . . . 0.0 109.439 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -59.77 -35.18 74.09 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.426 -0.796 . . . . 0.0 109.764 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -60.16 -40.45 89.93 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.084 -1.01 . . . . 0.0 109.026 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -61.16 -40.88 95.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.451 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -97.74 88.84 4.42 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -69.51 -28.5 66.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.71 -39.75 89.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.712 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.3 98.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.863 -1.148 . . . . 0.0 109.684 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.3 ttp -64.32 -40.88 96.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.578 0.704 . . . . 0.0 109.36 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.0 -41.21 97.81 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.086 -1.009 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -68.55 -39.85 80.9 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.395 -0.816 . . . . 0.0 109.79 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.89 -40.03 94.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.688 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -99.69 0.52 42.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.462 -0.774 . . . . 0.0 109.501 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 23' ' ' ALA . 99.2 m-20 53.41 46.74 25.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.597 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -116.56 151.6 47.26 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.7 Cg_endo -71.24 149.38 57.41 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 121.165 1.244 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -41.91 -19.95 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 121.902 1.735 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.4 t -59.86 -50.61 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.598 -1.314 . . . . 0.0 110.71 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.44 -41.14 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 119.329 -0.948 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.68 98.11 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.506 -0.746 . . . . 0.0 110.147 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -61.37 -40.24 93.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.951 -1.093 . . . . 0.0 109.686 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.417 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.4 tm-20 -60.21 -41.03 92.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.761 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.62 -40.26 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.578 -1.327 . . . . 0.0 107.999 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.79 -39.89 87.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.66 -38.89 84.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.694 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.417 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 45.8 m -70.04 -39.92 75.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.033 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.52 109.91 7.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.966 -1.084 . . . . 0.0 109.094 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -60.41 -40.32 90.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 110.465 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.14 -37.59 80.55 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.03 -34.81 43.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.215 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.585 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.3 tt0 -73.48 -77.35 0.11 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.772 -1.205 . . . . 0.0 110.002 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 121.79 19.04 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.915 -1.116 . . . . 0.0 108.797 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -90.51 -79.26 0.36 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.002 -1.061 . . . . 0.0 110.089 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.62 150.94 30.27 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -81.9 154.96 25.55 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.252 . . . . 0.0 109.064 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 140.31 15.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' MET . 67.4 mtt -83.01 132.48 35.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.755 . . . . 0.0 110.182 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -157.91 160.42 37.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.34 16.33 80.8 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -83.6 133.08 34.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.021 -1.282 . . . . 0.0 110.386 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -142.26 21.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.164 179.681 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.05 -40.34 76.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.646 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.43 -44.03 97.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.094 -1.004 . . . . 0.0 109.114 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.38 91.47 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 64.8 mt -65.44 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.52 -0.988 . . . . 0.0 109.61 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.01 -42.22 93.84 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.066 -1.022 . . . . 0.0 109.113 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.99 -41.58 74.21 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.95 67.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.523 -0.736 . . . . 0.0 110.432 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -60.07 139.76 57.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.931 . . . . 0.0 109.199 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -167.48 161.11 13.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.809 . . . . 0.0 109.419 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' GLU . 34.6 tt0 -43.86 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.792 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.5 t60 -69.08 73.05 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.523 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' GLU . 98.5 mt-10 -82.93 -176.57 6.39 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.644 -0.66 . . . . 0.0 109.343 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -67.35 -28.7 68.18 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -57.54 -29.53 64.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.513 -0.742 . . . . 0.0 109.218 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.03 -39.69 86.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 108.683 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -59.97 -41.65 92.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.117 -0.99 . . . . 0.0 109.024 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.18 91.6 4.83 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.293 -0.879 . . . . 0.0 109.008 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -71.19 -23.62 62.07 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.104 -0.997 . . . . 0.0 109.82 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -60.23 -40.32 89.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.45 85.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 109.672 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.5 ttp -63.62 -42.32 98.2 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.29 -39.98 89.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.153 -0.967 . . . . 0.0 109.131 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -69.15 -39.95 78.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.364 -0.835 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.31 -40.07 89.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -99.74 2.4 44.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.385 -0.822 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 52.36 45.18 28.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.395 -0.816 . . . . 0.0 109.964 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.7 mt -115.3 152.73 47.18 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.73 160.05 51.17 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 121.555 1.503 . . . . 0.0 110.443 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 34' ' ' LYS . 13.6 Cg_endo -55.96 -17.57 19.58 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.308 2.006 . . . . 0.0 111.821 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.8 -50.0 81.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.729 -1.232 . . . . 0.0 109.904 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -69.49 -43.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.031 -1.043 . . . . 0.0 109.15 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.16 86.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.349 -0.844 . . . . 0.0 110.043 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' PRO . 63.8 mmtt -61.7 -39.78 92.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.976 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -59.96 -40.39 88.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.12 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.422 HD11 HG22 ' A' ' 36' ' ' ILE . 96.7 mt -64.75 -39.99 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 108.534 179.176 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.14 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.79 85.09 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.768 -0.582 . . . . 0.0 110.4 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -70.18 -38.55 75.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.084 -1.01 . . . . 0.0 109.747 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 t -75.11 104.09 5.54 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.047 -1.033 . . . . 0.0 108.472 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.05 -37.9 81.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.48 -0.762 . . . . 0.0 110.63 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.281 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.3 -56.15 7.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.927 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.498 HE22 ' CD ' ' B' ' 44' ' ' GLN . 12.0 tt0 -74.93 -62.02 1.69 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.359 -0.838 . . . . 0.0 110.787 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.73 73.71 3.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.055 -1.028 . . . . 0.0 110.215 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -91.67 -9.31 44.36 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.307 -0.871 . . . . 0.0 109.468 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.39 125.54 8.07 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.29 156.45 25.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.329 -1.101 . . . . 0.0 109.371 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.29 140.11 22.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.161 -0.962 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.478 ' O ' ' O ' ' B' ' 50' ' ' MET . 25.0 ttt -85.25 107.59 17.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.816 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' B' ' 51' ' ' HIS . 44.3 t-80 -64.7 -40.05 94.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 176.55 46.87 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -94.89 142.82 27.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.211 -1.17 . . . . 0.0 109.337 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -98.46 144.9 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.176 -0.952 . . . . 0.0 109.155 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.612 -179.486 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.95 -40.4 88.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.308 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.98 . . . . 0.0 109.184 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -35.54 91.52 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.18 -38.7 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.546 -0.973 . . . . 0.0 109.6 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.96 -42.21 93.6 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.036 -1.04 . . . . 0.0 109.148 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.89 -41.8 74.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 108.963 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.2 67.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.573 -0.704 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.96 139.52 57.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.935 . . . . 0.0 109.32 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -167.24 161.21 14.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.487 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 13' ' ' GLU . 34.2 tt0 -43.8 158.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.494 -0.753 . . . . 0.0 109.805 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 77.4 t60 -68.93 73.12 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.561 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 11' ' ' GLU . 98.5 mt-10 -83.06 -176.49 6.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.532 -0.73 . . . . 0.0 109.318 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.42 -28.57 68.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.165 -0.959 . . . . 0.0 108.576 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -57.67 -29.49 64.67 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.532 -0.73 . . . . 0.0 109.204 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.99 -39.82 87.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 108.741 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -60.01 -41.44 92.12 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.138 -0.976 . . . . 0.0 108.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.25 91.7 4.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.913 . . . . 0.0 108.982 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -71.35 -23.13 61.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -60.63 -40.25 91.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.016 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.64 85.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.139 -0.976 . . . . 0.0 109.501 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -63.29 -42.47 99.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.354 -0.841 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.3 -40.11 89.79 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.062 -1.024 . . . . 0.0 109.056 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -68.77 -40.05 79.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.384 -0.823 . . . . 0.0 109.395 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.72 2.58 44.39 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.351 -0.843 . . . . 0.0 109.839 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 94.5 m-20 52.22 45.19 28.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.264 -0.898 . . . . 0.0 109.817 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 mt -115.35 152.75 47.25 Favored Pre-proline 0 N--CA 1.498 1.943 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.8 160.02 51.24 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 121.543 1.496 . . . . 0.0 110.528 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' B' ' 34' ' ' LYS . 14.1 Cg_endo -55.84 -17.45 18.53 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.258 1.972 . . . . 0.0 111.939 -179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -49.96 81.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.676 -1.265 . . . . 0.0 109.841 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.54 -43.59 80.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.163 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.08 86.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.351 -0.843 . . . . 0.0 110.016 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' B' ' 30' ' ' PRO . 63.7 mmtt -61.77 -39.73 92.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.026 -1.046 . . . . 0.0 109.996 179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.9 -40.5 89.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.885 -1.134 . . . . 0.0 109.101 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.66 -39.98 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.085 -1.009 . . . . 0.0 108.536 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.24 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.78 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.654 . . . . 0.0 110.323 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.7 m -70.32 -38.6 74.94 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.005 -1.06 . . . . 0.0 109.743 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -74.94 104.14 5.42 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.958 -1.089 . . . . 0.0 108.471 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.99 -38.06 81.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.437 -0.79 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -59.51 -39.12 82.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.328 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.47 -56.26 7.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 109.838 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.498 ' CD ' HE22 ' A' ' 44' ' ' GLN . 52.6 tt0 -74.86 -62.08 1.66 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.296 -0.877 . . . . 0.0 110.774 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.2 mt -76.64 73.8 3.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.045 -1.035 . . . . 0.0 110.246 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -91.81 -9.28 44.05 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.33 -0.856 . . . . 0.0 109.421 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.45 125.51 8.06 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.24 156.48 25.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -1.093 . . . . 0.0 109.289 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.62 140.01 24.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.14 -0.975 . . . . 0.0 109.067 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' MET . 24.9 ttt -85.23 107.45 17.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.939 . . . . 0.0 110.946 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' HIS . 44.1 t-80 -64.7 -40.01 94.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.426 -0.796 . . . . 0.0 109.494 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.48 176.59 47.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -94.82 142.97 26.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.177 -1.19 . . . . 0.0 109.29 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.0 m -98.59 144.75 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.305 -0.872 . . . . 0.0 109.078 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.687 -179.522 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.559 0.695 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -40.02 95.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.455 -0.778 . . . . 0.0 109.921 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.11 -47.78 84.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.2 94.21 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.5 mt -65.74 -40.01 86.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.616 -0.932 . . . . 0.0 110.796 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.96 -49.76 76.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.88 -1.138 . . . . 0.0 109.365 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.53 -40.01 85.05 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.302 -0.874 . . . . 0.0 109.071 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.23 73.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -60.92 138.41 58.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 109.668 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 71.3 tt0 -170.53 165.24 8.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.569 -0.707 . . . . 0.0 109.264 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 10' ' ' GLU . 73.5 mm-40 -44.18 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.369 -0.832 . . . . 0.0 110.015 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -69.31 77.35 0.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.751 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.99 171.01 15.66 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.64 -0.662 . . . . 0.0 109.265 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.88 -27.57 68.31 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -57.93 -26.5 62.31 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.474 -0.766 . . . . 0.0 109.04 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -59.96 -40.12 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 108.652 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -63.17 -42.93 99.48 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.69 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.35 83.88 3.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.835 . . . . 0.0 108.875 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.443 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 60.4 p-90 -70.06 -26.97 64.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.733 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 56.5 mtt-85 -60.05 -40.83 90.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.971 -1.081 . . . . 0.0 109.661 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.03 79.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.0 109.273 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.9 ttp -62.54 -42.01 99.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.37 -0.831 . . . . 0.0 109.796 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.08 -1.012 . . . . 0.0 109.074 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.15 -40.02 78.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.453 -0.779 . . . . 0.0 109.533 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.2 -41.37 92.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.457 -0.777 . . . . 0.0 110.222 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.16 3.43 43.8 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.337 -0.852 . . . . 0.0 109.751 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.75 39.87 31.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 110.276 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.73 149.99 40.68 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.3 160.47 49.7 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.859 1.706 . . . . 0.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.55 -19.71 18.8 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.502 2.135 . . . . 0.0 111.866 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.76 -51.7 69.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.934 -1.104 . . . . 0.0 110.083 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.85 -43.63 82.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.135 -0.978 . . . . 0.0 108.883 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.72 95.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.372 -0.83 . . . . 0.0 109.813 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.69 -40.01 95.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.967 -1.083 . . . . 0.0 110.076 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.88 -41.8 96.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 109.984 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.26 -39.97 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 108.836 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.15 -39.91 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.35 83.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.661 -0.649 . . . . 0.0 110.615 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -70.99 -34.46 71.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.98 -1.075 . . . . 0.0 109.793 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.6 104.34 5.25 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.958 -1.089 . . . . 0.0 108.429 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.97 -39.15 84.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.563 -0.71 . . . . 0.0 110.368 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -59.91 -38.62 82.83 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.19 -0.944 . . . . 0.0 109.409 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -71.37 -50.03 36.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.069 . . . . 0.0 110.209 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' B' ' 44' ' ' GLN . 12.1 tt0 -79.93 -69.94 0.55 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.6 130.01 41.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 109.52 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.37 -12.12 35.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.878 . . . . 0.0 109.395 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.87 -166.18 53.45 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 51.21 31.66 7.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -1.201 . . . . 0.0 109.544 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -91.81 -13.35 31.59 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.214 -0.929 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.603 ' SD ' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -63.7 -98.32 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -0.839 . . . . 0.0 109.746 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.603 ' N ' ' SD ' ' A' ' 50' ' ' MET . 84.1 t60 -74.54 122.78 23.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.908 -1.12 . . . . 0.0 109.426 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.45 -127.34 2.18 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.5 103.13 15.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.007 -1.29 . . . . 0.0 108.289 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.81 130.02 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.693 -0.629 . . . . 0.0 109.763 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.191 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.553 0.692 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.81 -39.98 93.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.437 -0.789 . . . . 0.0 109.956 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.14 -47.8 84.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.905 . . . . 0.0 110.094 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.26 94.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.84 -39.98 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.566 -0.961 . . . . 0.0 110.668 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.93 -49.82 76.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.412 -0.805 . . . . 0.0 109.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.05 72.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.568 -0.708 . . . . 0.0 109.844 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.96 138.44 58.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 0.0 109.651 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 11' ' ' GLU . 71.7 tt0 -170.58 165.16 8.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.479 -0.763 . . . . 0.0 109.31 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 10' ' ' GLU . 73.8 mm-40 -44.17 166.57 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.275 -0.891 . . . . 0.0 109.899 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -69.2 77.3 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.963 . . . . 0.0 109.738 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.04 170.91 15.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.65 -0.657 . . . . 0.0 109.279 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.76 -27.79 68.56 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -57.78 -26.41 61.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.435 -0.791 . . . . 0.0 109.062 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.02 -40.25 88.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.088 . . . . 0.0 108.618 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -62.96 -43.07 99.8 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.219 -0.926 . . . . 0.0 108.657 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.34 83.85 3.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 108.89 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . 0.449 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 60.5 p-90 -69.99 -27.03 64.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.082 -1.011 . . . . 0.0 109.753 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.449 ' NH1' ' CH2' ' B' ' 19' ' ' TRP . 56.0 mtt-85 -60.03 -40.86 90.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.026 . . . . 0.0 109.664 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.89 79.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.051 -1.03 . . . . 0.0 109.269 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.61 -42.0 99.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 0.0 109.791 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.81 98.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 109.141 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.19 -40.05 78.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.865 . . . . 0.0 110.418 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.05 3.33 44.05 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 109.868 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.77 40.06 31.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.526 -0.733 . . . . 0.0 110.232 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.3 mt -110.12 149.99 40.86 Favored Pre-proline 0 N--CA 1.499 1.99 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.17 160.43 49.89 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 121.9 1.733 . . . . 0.0 110.958 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' B' ' 34' ' ' LYS . 12.6 Cg_endo -54.59 -19.68 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.488 2.126 . . . . 0.0 111.831 -179.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.61 -51.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.021 -1.049 . . . . 0.0 110.176 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.72 -43.75 82.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.835 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.72 95.45 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.365 -0.834 . . . . 0.0 109.77 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' B' ' 30' ' ' PRO . 26.3 mmtp -63.81 -39.94 95.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.049 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.93 -41.61 96.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 110.003 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.34 -39.98 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 108.841 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.17 -39.99 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.46 83.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -71.0 -34.5 71.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.958 -1.089 . . . . 0.0 109.808 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -74.61 104.35 5.26 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.047 -1.033 . . . . 0.0 108.447 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.95 -39.16 84.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.599 -0.688 . . . . 0.0 110.411 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -59.86 -38.82 83.23 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.469 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.3 -49.91 37.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 110.172 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.49 ' NE2' ' NE2' ' A' ' 44' ' ' GLN . 53.6 tt0 -80.07 -69.93 0.55 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.35 -0.844 . . . . 0.0 109.995 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 129.99 41.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.42 -12.19 35.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.84 -166.23 53.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 51.42 31.52 7.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -1.142 . . . . 0.0 109.454 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.66 -13.14 32.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.163 -0.961 . . . . 0.0 109.452 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.6 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -64.11 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.323 -0.861 . . . . 0.0 109.663 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.597 ' N ' ' SD ' ' B' ' 50' ' ' MET . 84.0 t60 -74.33 123.02 23.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.947 -1.095 . . . . 0.0 109.442 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.71 -127.15 2.13 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.67 102.86 15.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.08 -1.247 . . . . 0.0 108.313 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.55 130.04 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.58 -0.7 . . . . 0.0 109.811 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.269 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.501 0.667 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.4 -39.97 94.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.638 -0.664 . . . . 0.0 110.448 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.21 -40.68 96.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.22 -33.06 62.19 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.02 -39.83 85.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.623 -0.928 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.97 -40.87 90.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.85 -40.03 83.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.875 -1.141 . . . . 0.0 108.611 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -21.81 63.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.643 -0.66 . . . . 0.0 109.739 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.554 ' NE2' ' N ' ' A' ' 10' ' ' GLU . 3.3 tm0? -60.95 138.24 58.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 109.284 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' N ' ' NE2' ' A' ' 9' ' ' GLN . 34.5 tt0 -170.06 165.37 9.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 9.5 tp10 -57.54 145.08 34.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.634 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -57.09 78.98 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.566 -0.709 . . . . 0.0 109.855 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 4.6 tt0 -101.06 -153.97 0.47 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.425 -0.797 . . . . 0.0 109.415 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 27.8 mtmm -69.97 -31.13 68.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.195 -0.941 . . . . 0.0 110.221 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -60.05 -39.77 87.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.666 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.01 -40.11 88.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.987 -1.071 . . . . 0.0 109.6 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.5 p -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.862 -1.149 . . . . 0.0 109.168 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -99.83 94.48 6.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.359 -0.838 . . . . 0.0 109.719 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -74.36 -25.33 59.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.36 -41.01 98.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.978 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.3 ttp -65.54 -40.07 92.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.484 -0.76 . . . . 0.0 109.888 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.67 95.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.047 -1.033 . . . . 0.0 108.919 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.96 75.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.434 -0.791 . . . . 0.0 110.072 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -61.13 -39.98 92.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 0.0 110.035 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -98.7 0.9 45.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.218 -0.926 . . . . 0.0 109.294 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 54.87 41.53 31.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.597 -0.689 . . . . 0.0 109.651 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.13 151.56 43.16 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.62 160.07 51.12 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.815 1.676 . . . . 0.0 111.082 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.48 -18.34 14.75 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.299 1.999 . . . . 0.0 111.412 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.97 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 110.71 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.4 -44.16 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.14 99.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.48 -0.763 . . . . 0.0 109.613 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -62.3 -40.01 94.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.05 . . . . 0.0 109.853 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -41.6 92.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.039 . . . . 0.0 110.138 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.3 -40.06 87.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.963 -1.086 . . . . 0.0 108.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.0 -39.92 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.04 71.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.468 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.65 -40.06 69.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.223 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -75.49 110.45 9.88 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 108.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -60.42 -40.05 89.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 110.62 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 110.115 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -75.98 -33.43 59.75 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.076 . . . . 0.0 109.743 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.648 HE21 ' HG3' ' B' ' 44' ' ' GLN . 60.9 tt0 -79.02 -70.57 0.49 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.272 -0.892 . . . . 0.0 110.851 -178.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -77.69 98.62 5.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.0 109.499 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -98.0 -16.21 19.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.123 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.8 142.19 28.39 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.551 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 1.2 pm0 -89.94 0.44 57.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 48' ' ' GLU . . . 81.49 113.26 0.06 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.453 ' O ' ' O ' ' B' ' 50' ' ' MET . 16.6 mmt -61.82 141.33 58.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.489 -0.757 . . . . 0.0 109.443 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' GLY . 74.8 t60 -131.55 -17.85 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . 58.74 117.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -96.19 134.82 38.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.159 -1.2 . . . . 0.0 108.914 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.7 t -98.03 120.14 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.699 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.449 179.722 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.547 0.689 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -62.38 -39.95 94.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.474 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.17 -40.61 96.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.37 -32.86 61.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.17 -39.76 85.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.726 -0.867 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 110.064 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.87 -39.98 83.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.869 -1.145 . . . . 0.0 108.623 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.51 -21.8 63.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.673 -0.642 . . . . 0.0 109.83 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' B' ' 10' ' ' GLU . 3.2 tm0? -61.08 138.13 58.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 109.335 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.57 ' N ' ' NE2' ' B' ' 9' ' ' GLN . 34.3 tt0 -169.95 165.32 9.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.588 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' GLU . 9.5 tp10 -57.36 145.07 33.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.1 79.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.467 -0.771 . . . . 0.0 109.745 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' B' ' 11' ' ' GLU . 4.6 tt0 -101.22 -153.89 0.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -0.81 . . . . 0.0 109.411 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 27.7 mtmm -69.94 -31.12 68.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.248 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -59.94 -39.96 87.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.959 -1.088 . . . . 0.0 109.627 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -63.19 -44.73 94.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.869 -1.145 . . . . 0.0 109.142 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -99.72 94.46 6.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 109.614 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -74.51 -25.13 59.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.956 . . . . 0.0 110.096 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.52 -40.84 98.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.078 -1.014 . . . . 0.0 110.017 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.66 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 0.0 109.116 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.5 ttp -65.54 -40.03 92.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.499 -0.75 . . . . 0.0 109.932 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.71 95.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.953 -1.092 . . . . 0.0 108.926 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.91 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.456 -0.777 . . . . 0.0 110.13 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -61.21 -39.9 91.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.328 -0.858 . . . . 0.0 110.008 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.8 0.86 45.23 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.195 -0.941 . . . . 0.0 109.207 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.02 41.44 31.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.615 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.07 151.48 43.07 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.44 160.15 50.91 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.833 1.689 . . . . 0.0 111.171 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.54 -18.29 14.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.337 2.025 . . . . 0.0 111.406 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.99 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.09 -1.006 . . . . 0.0 110.739 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.46 -44.28 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.955 -1.09 . . . . 0.0 108.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.16 99.42 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.461 -0.774 . . . . 0.0 109.642 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -62.14 -39.98 94.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.078 -1.014 . . . . 0.0 109.933 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 110.059 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.4 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.991 -1.068 . . . . 0.0 108.395 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.05 -39.97 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.2 -32.12 71.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.493 -0.754 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.62 -40.06 70.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.34 110.44 9.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.187 -0.945 . . . . 0.0 108.985 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.5 -39.92 89.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.358 -0.839 . . . . 0.0 110.589 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.4 m -76.0 -33.31 59.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.911 -1.118 . . . . 0.0 109.813 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.648 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.1 tt0 -79.23 -70.45 0.5 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 110.767 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.79 98.64 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.975 -1.078 . . . . 0.0 109.532 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -98.07 -15.84 19.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.562 -0.711 . . . . 0.0 110.118 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.12 142.25 28.16 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.547 ' H ' ' CD ' ' B' ' 48' ' ' GLU . 1.1 pm0 -90.03 0.45 57.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.44 -1.035 . . . . 0.0 109.597 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' B' ' 48' ' ' GLU . . . 81.51 112.99 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' MET . 16.7 mmt -61.6 141.42 57.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.473 -0.767 . . . . 0.0 109.42 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' B' ' 52' ' ' GLY . 74.6 t60 -131.68 -17.74 2.84 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.417 -0.802 . . . . 0.0 108.839 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . 58.75 117.47 0.01 OUTLIER Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -95.99 134.84 38.52 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.299 -1.118 . . . . 0.0 108.952 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.95 120.29 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.342 -0.848 . . . . 0.0 109.62 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.346 179.721 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.725 0.774 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.53 -40.64 97.42 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.427 -0.795 . . . . 0.0 110.317 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -63.14 -42.43 99.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 110.203 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.98 95.16 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.8 mt -64.39 -41.3 91.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.576 -0.955 . . . . 0.0 109.967 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -59.52 -47.21 86.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.935 -1.103 . . . . 0.0 110.074 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -68.49 -40.74 80.82 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.848 -1.158 . . . . 0.0 109.501 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.49 68.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.452 -0.78 . . . . 0.0 110.15 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.7 tt0 -62.67 138.04 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.919 -1.113 . . . . 0.0 109.504 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -161.33 -173.76 3.98 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.97 157.11 25.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.023 . . . . 0.0 110.176 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 62.8 t60 -71.87 79.54 0.89 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.995 -1.066 . . . . 0.0 108.916 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -100.35 -160.83 0.82 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.71 . . . . 0.0 109.816 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' O ' ' OG ' ' A' ' 17' ' ' SER . 63.5 mttp -70.48 -26.36 63.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.913 . . . . 0.0 109.738 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -60.75 -35.9 77.56 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 108.946 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -60.2 -39.74 87.61 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.626 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 76.7 p -60.34 -47.97 83.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.781 -1.199 . . . . 0.0 109.167 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -93.79 86.15 5.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.141 -0.975 . . . . 0.0 109.357 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -70.12 -25.78 63.65 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.169 -0.957 . . . . 0.0 109.693 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.12 -40.83 95.26 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.442 -0.786 . . . . 0.0 110.067 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.93 97.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.327 -0.858 . . . . 0.0 108.834 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -65.73 -40.17 91.91 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.92 98.45 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 109.278 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -69.17 -40.34 78.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.124 -0.985 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.7 -39.67 92.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 110.272 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.22 -0.15 39.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.173 -0.955 . . . . 0.0 109.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 54.63 46.24 25.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -0.813 . . . . 0.0 110.46 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 mt -114.31 152.07 45.65 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 158.5 56.28 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.946 1.764 . . . . 0.0 110.337 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.61 -21.63 14.98 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.082 1.855 . . . . 0.0 111.511 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -56.51 -54.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.886 -1.134 . . . . 0.0 109.824 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.94 -44.82 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.121 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.38 83.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.792 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.73 -38.33 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.652 -1.28 . . . . 0.0 110.541 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.65 -39.73 92.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.749 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.44 -39.69 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.77 -39.92 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.09 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.28 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.676 -0.64 . . . . 0.0 109.283 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -70.54 -37.74 74.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.106 -0.996 . . . . 0.0 109.031 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 t -73.97 109.6 7.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.132 -0.98 . . . . 0.0 108.926 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.09 -38.96 84.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.269 -0.894 . . . . 0.0 109.355 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -58.93 -39.97 83.18 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.998 -1.064 . . . . 0.0 110.19 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -80.11 -31.08 39.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.047 -1.033 . . . . 0.0 110.838 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.29 -57.92 5.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.841 . . . . 0.0 111.666 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.12 119.7 22.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.671 -1.268 . . . . 0.0 109.452 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -95.23 125.65 40.01 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.992 -1.067 . . . . 0.0 110.014 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 16.7 68.97 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 54.82 -169.32 0.07 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -1.011 . . . . 0.0 109.673 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.14 151.78 45.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.387 -0.821 . . . . 0.0 110.016 -179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -78.57 126.07 30.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.489 -0.757 . . . . 0.0 109.462 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -156.68 155.31 31.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.254 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.22 19.49 71.93 Favored Glycine 0 N--CA 1.486 2.02 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.356 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -83.57 11.99 6.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.947 -1.325 . . . . 0.0 109.209 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.9 p -100.16 137.14 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.782 . . . . 0.0 109.156 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.869 179.602 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.545 0.688 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.46 -40.92 96.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.521 -0.737 . . . . 0.0 110.196 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.52 -43.86 95.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.477 -0.764 . . . . 0.0 109.996 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -37.81 95.26 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.24 -40.04 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.767 -0.843 . . . . 0.0 110.495 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -60.02 -46.41 89.6 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.855 -1.153 . . . . 0.0 109.885 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.33 -40.83 77.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.774 -1.204 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.23 72.07 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.297 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.54 137.9 58.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.956 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -161.27 -176.26 5.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -62.86 154.89 28.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.01 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' B' ' 12' ' ' HIS . 65.0 t60 -69.62 79.4 0.42 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.512 -0.743 . . . . 0.0 109.32 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -100.31 -162.63 0.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.638 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.14 -26.81 65.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.467 -0.77 . . . . 0.0 109.543 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.27 -39.97 88.71 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.242 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -61.79 -46.85 87.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.225 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -93.55 85.97 5.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -70.27 -26.85 64.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.889 -1.132 . . . . 0.0 109.761 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.09 -41.25 92.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.937 -1.102 . . . . 0.0 110.36 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.7 91.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.19 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.57 -41.14 89.02 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.65 -0.656 . . . . 0.0 109.739 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.46 96.74 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.358 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -68.79 -40.27 79.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.15 -40.48 96.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.901 -1.124 . . . . 0.0 110.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.08 -0.48 41.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.334 -0.854 . . . . 0.0 109.798 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 54.48 45.59 26.71 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.545 -0.722 . . . . 0.0 109.973 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.48 151.35 44.38 Favored Pre-proline 0 N--CA 1.499 1.982 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.85 158.12 57.92 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.83 1.687 . . . . 0.0 110.683 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.4 -21.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 121.907 1.738 . . . . 0.0 111.467 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.54 -53.29 46.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.824 -1.173 . . . . 0.0 110.178 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.73 -44.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 109.194 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.7 84.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.511 -0.743 . . . . 0.0 109.986 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -62.08 -39.7 93.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.583 -1.323 . . . . 0.0 110.189 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.4 -39.94 92.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.832 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.411 HG22 HD11 ' B' ' 36' ' ' ILE . 97.0 mt -61.73 -39.68 84.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.879 -1.138 . . . . 0.0 108.23 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.23 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.271 -0.893 . . . . 0.0 108.872 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.94 69.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.392 -0.817 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -36.87 69.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.114 -0.992 . . . . 0.0 108.957 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 24.5 t -75.35 109.48 8.91 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.265 -0.897 . . . . 0.0 109.016 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.68 -38.28 81.11 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.691 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -59.29 -40.28 85.67 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.062 -1.024 . . . . 0.0 110.263 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.06 -31.13 39.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.032 -1.042 . . . . 0.0 110.821 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -67.44 -59.63 3.23 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.007 -1.058 . . . . 0.0 111.987 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.48 119.91 21.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.059 -1.026 . . . . 0.0 109.141 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -95.47 126.86 41.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.735 -1.228 . . . . 0.0 109.616 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 18.63 69.55 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 53.52 -167.49 0.07 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.539 -0.977 . . . . 0.0 109.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.94 151.59 41.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.503 -0.748 . . . . 0.0 109.848 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.556 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -76.16 127.6 33.24 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 110.185 -179.397 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -159.0 155.07 26.83 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.964 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 23.1 67.83 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -85.91 10.03 15.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.286 -1.126 . . . . 0.0 109.134 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -100.11 136.66 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.214 0.53 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.24 -41.54 96.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.19 -40.67 96.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.381 -0.824 . . . . 0.0 109.899 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.49 -36.1 92.69 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.65 -39.69 82.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -1.094 . . . . 0.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.35 -42.55 91.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.82 -1.175 . . . . 0.0 110.279 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.31 -41.05 73.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 109.483 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.88 62.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.756 -0.59 . . . . 0.0 110.899 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.3 140.29 58.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 109.445 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.61 -175.72 3.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.117 -0.989 . . . . 0.0 109.424 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.79 154.91 41.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.171 -0.956 . . . . 0.0 109.82 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.75 72.78 0.55 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.535 -0.728 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -102.17 -149.71 0.39 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.573 -0.705 . . . . 0.0 109.861 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 17' ' ' SER . 66.4 mttm -70.27 -32.56 70.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.471 -0.768 . . . . 0.0 109.852 -179.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 109.699 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.686 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 83.7 p -60.32 -44.86 95.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.148 -0.97 . . . . 0.0 109.64 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.686 ' N ' ' HG ' ' A' ' 17' ' ' SER . 96.2 m-20 -98.01 100.37 11.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.289 -0.882 . . . . 0.0 108.759 179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.467 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 55.7 p-90 -77.25 -24.86 51.09 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.387 -0.821 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 58.7 mtt-85 -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.407 -0.808 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.54 97.38 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.069 -1.053 . . . . 0.0 108.706 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.2 ttm -62.5 -44.16 97.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.324 -0.86 . . . . 0.0 109.898 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.79 -44.98 94.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -67.33 -40.07 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.597 -0.689 . . . . 0.0 109.882 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.4 -40.59 94.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.212 -0.93 . . . . 0.0 109.852 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -100.59 1.93 41.27 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.489 -0.757 . . . . 0.0 110.136 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.1 m-20 55.02 43.64 29.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.509 -0.744 . . . . 0.0 110.185 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -116.92 150.71 46.36 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.1 162.12 36.99 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.892 1.728 . . . . 0.0 110.778 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.05 -20.74 24.55 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.689 2.26 . . . . 0.0 112.623 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.01 -48.63 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.686 -1.259 . . . . 0.0 110.751 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.62 -44.54 82.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.878 -1.139 . . . . 0.0 109.204 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.26 94.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -63.03 -39.47 94.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.167 -0.958 . . . . 0.0 109.747 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.49 -40.15 90.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.851 -1.156 . . . . 0.0 109.339 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.403 HG22 HD11 ' A' ' 36' ' ' ILE . 82.2 mt -62.04 -40.05 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.905 -1.122 . . . . 0.0 108.744 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.81 -40.06 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.185 -0.947 . . . . 0.0 108.539 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.51 80.37 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.599 -0.688 . . . . 0.0 109.609 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -72.56 -38.85 67.84 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.316 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.76 114.21 15.27 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.45 -39.75 88.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.0 110.585 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.42 -41.15 93.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.908 -1.12 . . . . 0.0 110.156 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.56 -29.88 37.03 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.279 -0.888 . . . . 0.0 110.309 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -65.08 -59.28 4.3 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.238 -0.914 . . . . 0.0 110.951 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.75 110.65 14.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.921 -1.112 . . . . 0.0 109.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.19 123.83 36.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.0 110.26 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.4 -176.53 27.3 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.44 141.65 35.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.273 -1.133 . . . . 0.0 109.341 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -78.14 -58.28 3.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -0.936 . . . . 0.0 109.934 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.422 ' O ' ' O ' ' A' ' 49' ' ' ALA . 27.9 ttt 55.73 108.83 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.548 -0.72 . . . . 0.0 110.315 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -85.9 129.96 34.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.456 -0.777 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.72 -175.87 38.93 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.529 -1.828 . . . . 0.0 108.529 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 52.8 62.97 2.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.932 -1.334 . . . . 0.0 109.363 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.78 138.2 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.124 -0.985 . . . . 0.0 109.217 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.11 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.44 -40.9 98.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.359 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.18 -41.37 97.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.377 -0.827 . . . . 0.0 109.858 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.81 91.73 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.94 -39.76 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -1.039 . . . . 0.0 110.375 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.38 -41.8 90.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.883 -1.136 . . . . 0.0 110.687 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -70.62 -39.95 73.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.832 -1.168 . . . . 0.0 109.369 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -25.62 61.66 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.7 -0.625 . . . . 0.0 110.59 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.95 139.88 58.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.043 -1.036 . . . . 0.0 109.859 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -165.02 -175.93 3.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.872 . . . . 0.0 109.291 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.81 154.15 42.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 110.254 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.84 71.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.451 -0.781 . . . . 0.0 109.269 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' B' ' 14' ' ' LYS . 3.7 tp10 -100.82 -149.66 0.38 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.566 0.698 . . . . 0.0 110.152 -179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 64.2 mttm -69.91 -32.82 71.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.708 . . . . 0.0 109.959 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -60.3 -39.7 87.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.336 -0.853 . . . . 0.0 109.967 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -60.44 -40.22 90.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.992 -1.067 . . . . 0.0 109.655 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.73 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 79.8 p -60.06 -45.33 93.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.162 -0.961 . . . . 0.0 109.289 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.73 ' N ' ' HG ' ' B' ' 17' ' ' SER . 96.2 m-20 -97.13 99.39 10.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.361 -0.837 . . . . 0.0 109.166 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . 0.404 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 54.0 p-90 -76.58 -25.23 53.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.0 mtt-85 -60.62 -40.39 91.75 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.94 97.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.029 -1.044 . . . . 0.0 109.009 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -62.46 -43.79 97.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 110.121 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.48 -44.66 93.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.06 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.6 t -67.58 -40.18 84.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.635 -0.666 . . . . 0.0 109.716 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -61.39 -40.29 93.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.357 -0.839 . . . . 0.0 109.467 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -100.8 0.92 39.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.453 -0.779 . . . . 0.0 110.241 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 56.37 42.36 27.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.355 -0.841 . . . . 0.0 110.405 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 47.3 mt -116.28 151.42 46.77 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.46 162.09 38.17 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 121.627 1.551 . . . . 0.0 111.036 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.49 -19.41 22.83 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.554 2.169 . . . . 0.0 112.46 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -49.88 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.712 -1.243 . . . . 0.0 110.615 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.74 -45.78 87.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 120.99 -1.069 . . . . 0.0 109.396 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.93 96.77 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.854 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.41 -39.5 94.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.886 -1.134 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.78 -40.05 91.11 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.723 -1.236 . . . . 0.0 109.695 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 36' ' ' ILE . 83.6 mt -61.73 -40.49 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.796 -1.19 . . . . 0.0 108.739 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.68 -40.89 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -66.17 -37.16 84.97 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.532 -0.73 . . . . 0.0 109.419 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -70.18 -39.12 75.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.429 -0.794 . . . . 0.0 110.125 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.6 114.37 15.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.994 -1.066 . . . . 0.0 108.732 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.51 -40.03 89.92 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.377 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.17 -41.77 93.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.798 -1.189 . . . . 0.0 110.298 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -79.82 -28.89 40.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.0 110.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 32.2 tt0 -66.47 -60.31 2.86 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.104 -0.997 . . . . 0.0 111.103 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -78.29 110.38 13.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.945 -1.097 . . . . 0.0 108.885 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -92.5 123.59 35.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 110.212 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.22 -175.23 28.98 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -81.19 139.93 35.24 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -77.13 -58.58 3.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.451 ' O ' ' O ' ' B' ' 49' ' ' ALA . 27.8 ttt 54.77 110.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.734 0.778 . . . . 0.0 109.856 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -87.81 130.09 34.98 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.403 -0.811 . . . . 0.0 108.941 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.65 -173.99 35.18 Favored Glycine 0 N--CA 1.482 1.766 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 50.88 63.84 2.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.181 -1.188 . . . . 0.0 109.378 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.33 140.02 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 108.999 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.2 t0 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.751 -1.118 . . . . 0.0 109.557 -179.386 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 121.828 0.823 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.82 -40.5 97.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 110.953 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.77 -39.94 91.53 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.171 -0.956 . . . . 0.0 111.424 -178.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.56 -34.93 90.44 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.841 -1.704 . . . . 0.0 108.841 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.97 -40.05 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 121.376 -1.073 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.33 -178.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.451 -1.406 . . . . 0.0 108.904 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.31 78.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.723 -0.611 . . . . 0.0 110.199 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -65.65 127.31 31.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.308 -0.87 . . . . 0.0 110.194 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -147.3 -165.04 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.331 -0.855 . . . . 0.0 109.047 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 13' ' ' GLU . 67.1 mm-40 -69.83 153.78 42.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 109.351 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 70.1 t60 -64.71 71.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 109.676 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' GLU . 86.5 mt-10 -94.05 -162.14 0.91 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.365 -0.834 . . . . 0.0 109.368 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' OG ' ' A' ' 17' ' ' SER . 67.9 mttm -69.89 -25.61 63.78 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.547 -0.721 . . . . 0.0 109.822 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.88 -36.6 77.28 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.28 -40.67 86.86 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.592 -1.318 . . . . 0.0 109.106 179.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 78.3 p -62.56 -42.63 99.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.882 -1.136 . . . . 0.0 108.844 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.434 ' H ' ' HG ' ' A' ' 17' ' ' SER . 28.5 m120 -92.4 84.05 5.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.947 -1.096 . . . . 0.0 108.734 179.101 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -71.39 -24.17 62.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 0.0 109.757 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -61.75 -40.39 94.95 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.579 -1.326 . . . . 0.0 109.76 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.49 94.24 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.0 ttm -61.74 -47.07 86.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.33 -0.856 . . . . 0.0 109.268 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.078 -1.014 . . . . 0.0 109.535 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -69.11 -40.26 78.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.38 -0.825 . . . . 0.0 110.12 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.73 -40.85 93.87 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.279 -0.888 . . . . 0.0 109.981 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -102.89 1.82 34.43 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 0.0 110.47 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.0 m-20 53.06 47.42 24.6 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 110.434 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 38.4 mt -118.02 152.04 49.79 Favored Pre-proline 0 N--CA 1.501 2.092 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.73 161.63 42.92 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.513 1.475 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.9 -20.45 13.25 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 122.736 2.291 . . . . 0.0 112.048 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -50.63 79.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.075 -1.016 . . . . 0.0 111.174 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.81 -42.55 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.479 -1.388 . . . . 0.0 109.032 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.28 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 109.678 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -62.25 -40.19 95.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.876 -1.14 . . . . 0.0 109.668 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.4 tm-20 -61.21 -40.57 94.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.05 . . . . 0.0 109.633 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.49 -40.5 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.865 -1.147 . . . . 0.0 108.773 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.94 -40.0 87.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.88 -28.4 65.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.531 -0.731 . . . . 0.0 110.1 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.411 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 47.1 m -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.018 -1.051 . . . . 0.0 109.322 -179.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 t -71.74 113.32 8.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 109.408 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.33 -40.05 89.25 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.08 -1.013 . . . . 0.0 110.128 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.29 -39.64 87.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.41 -0.806 . . . . 0.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.09 -35.73 49.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.035 -1.041 . . . . 0.0 109.976 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.25 -71.6 0.38 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.696 . . . . 0.0 109.783 -178.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.66 151.47 44.91 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.482 0.658 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.13 -6.4 58.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.017 -1.052 . . . . 0.0 109.973 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.28 -58.46 0.5 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -95.88 136.97 35.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -1.116 . . . . 0.0 108.745 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.85 29.0 0.18 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.834 -1.166 . . . . 0.0 110.022 -179.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -131.45 -21.76 2.52 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.111 -0.993 . . . . 0.0 109.596 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 52.18 50.28 18.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.632 -1.292 . . . . 0.0 108.737 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.71 6.77 10.82 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -95.05 131.82 40.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.189 -1.183 . . . . 0.0 109.465 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.0 129.97 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.579 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.431 0.634 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.74 -42.27 92.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.684 . . . . 0.0 111.167 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.26 -41.05 97.12 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.699 -1.251 . . . . 0.0 110.816 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.72 92.41 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 5' ' ' ILE . 75.0 mt -67.44 -40.02 83.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.185 -1.186 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.31 -49.94 75.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.727 -1.233 . . . . 0.0 109.974 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.41 -39.52 89.03 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.866 -1.146 . . . . 0.0 109.12 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.84 76.79 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.738 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.17 129.8 41.04 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 110.644 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -148.76 -164.93 2.14 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 13' ' ' GLU . 65.5 mm-40 -71.05 154.03 42.11 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.33 -0.856 . . . . 0.0 109.271 179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -64.44 73.1 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 11' ' ' GLU . 90.3 mt-10 -96.53 -162.14 0.93 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.581 -0.699 . . . . 0.0 109.229 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.425 ' O ' ' OG ' ' B' ' 17' ' ' SER . 67.8 mttm -69.94 -26.62 64.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.706 -179.337 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -59.7 -35.54 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.917 -1.114 . . . . 0.0 110.199 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.15 -41.0 91.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.605 -1.309 . . . . 0.0 108.666 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.448 ' HG ' ' H ' ' B' ' 18' ' ' ASN . 91.7 p -61.95 -44.07 97.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.961 -1.087 . . . . 0.0 108.496 179.941 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.448 ' H ' ' HG ' ' B' ' 17' ' ' SER . 28.0 m120 -92.02 86.19 5.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.0 109.152 178.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -72.33 -25.67 61.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.512 -0.743 . . . . 0.0 110.001 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -60.41 -41.56 94.18 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.819 -0.753 . . . . 0.0 109.781 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.22 92.61 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.151 -0.968 . . . . 0.0 110.111 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.89 -46.47 89.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.899 -1.126 . . . . 0.0 109.067 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.81 -41.77 99.44 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.684 0.754 . . . . 0.0 109.815 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.2 -39.96 78.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.74 -41.45 95.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.354 -0.841 . . . . 0.0 109.807 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.64 0.28 35.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.373 -0.829 . . . . 0.0 110.024 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.08 50.81 15.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.168 -0.958 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.7 mt -122.44 153.0 62.12 Favored Pre-proline 0 N--CA 1.498 1.972 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.77 160.57 47.7 Favored 'Trans proline' 0 N--CA 1.503 2.079 0 C-N-CA 121.88 1.72 . . . . 0.0 112.289 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.18 -19.37 12.06 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.579 2.186 . . . . 0.0 112.052 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -50.38 80.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.049 -1.032 . . . . 0.0 110.711 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.79 -44.71 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.746 -1.221 . . . . 0.0 108.676 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.48 97.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -0.97 . . . . 0.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -63.73 -39.92 95.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.08 -1.012 . . . . 0.0 109.609 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.45 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.6 tm-20 -60.51 -41.2 93.87 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.125 -0.984 . . . . 0.0 109.974 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -64.89 -40.44 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.07 -40.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.425 -0.797 . . . . 0.0 109.133 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.93 -29.66 66.86 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.572 0.701 . . . . 0.0 110.226 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.45 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 65.8 m -70.72 -39.1 73.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.855 -1.153 . . . . 0.0 109.196 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.17 113.7 9.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.016 -1.053 . . . . 0.0 109.196 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.99 -40.26 88.57 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.608 -0.683 . . . . 0.0 109.552 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.7 -40.03 90.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.018 -1.051 . . . . 0.0 111.209 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.05 -34.97 50.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.874 -1.141 . . . . 0.0 109.981 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.5 tt0 -76.21 -69.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.222 -0.924 . . . . 0.0 110.365 -178.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.29 155.24 39.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.53 -5.03 59.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.14 -0.975 . . . . 0.0 109.563 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 -58.25 0.59 Allowed Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.15 135.68 36.42 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.161 . . . . 0.0 109.295 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.92 30.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.324 -0.86 . . . . 0.0 110.518 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -133.33 -21.05 2.07 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.517 -1.364 . . . . 0.0 109.089 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 62.5 t-80 51.25 51.01 17.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.173 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.8 7.25 9.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -93.98 131.75 39.13 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.113 -1.228 . . . . 0.0 109.37 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -98.55 130.37 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.048 -1.032 . . . . 0.0 109.545 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.301 -1.539 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.584 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.157 0.503 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.83 -40.09 95.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.359 -0.838 . . . . 0.0 110.204 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.66 -42.59 98.07 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.133 -0.98 . . . . 0.0 109.621 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.31 96.8 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.56 -39.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.422 -1.046 . . . . 0.0 109.989 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.5 -49.68 76.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.149 -0.969 . . . . 0.0 110.63 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -68.05 -40.25 82.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.922 -1.112 . . . . 0.0 109.461 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -26.43 64.5 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 109.95 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.17 131.59 51.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 108.991 -179.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 45.3 tt0 -153.85 161.13 42.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.351 -0.843 . . . . 0.0 108.95 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.5 tp10 -53.02 153.35 3.51 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 109.335 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -65.91 70.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.447 -0.783 . . . . 0.0 109.356 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.7 tt0 -101.07 -149.75 0.38 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.647 0.737 . . . . 0.0 109.648 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 98.4 mttt -70.18 -34.67 73.25 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.528 -0.732 . . . . 0.0 110.948 -179.499 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -59.82 -37.79 80.19 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.152 -0.967 . . . . 0.0 109.141 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' NE2' ' O ' ' A' ' 10' ' ' GLU . 7.5 m170 -60.54 -42.24 96.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.875 -1.14 . . . . 0.0 109.072 179.254 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.649 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 86.2 p -60.36 -48.59 81.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.939 -1.1 . . . . 0.0 109.599 179.755 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.649 ' N ' ' HG ' ' A' ' 17' ' ' SER . 83.1 m-20 -95.98 87.89 4.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.054 -1.029 . . . . 0.0 109.588 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.613 ' CE2' ' NZ ' ' A' ' 34' ' ' LYS . 66.1 p-90 -70.05 -22.47 63.07 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.217 -0.927 . . . . 0.0 109.589 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.35 -40.88 92.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.053 -1.029 . . . . 0.0 109.092 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.18 94.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.126 -0.984 . . . . 0.0 109.195 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.1 ttm -60.75 -45.98 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.419 -0.8 . . . . 0.0 109.623 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.11 -42.16 99.5 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.327 -0.858 . . . . 0.0 109.371 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 t -69.87 -40.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -60.42 -40.2 90.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -100.84 1.76 40.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.539 -0.725 . . . . 0.0 109.68 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.2 m-20 53.61 44.95 29.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.0 mt -116.4 152.67 48.35 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.54 161.32 46.46 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 121.458 1.439 . . . . 0.0 110.737 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.21 -17.54 11.97 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.542 2.161 . . . . 0.0 111.793 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.16 -50.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.0 110.441 -178.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.81 -47.96 77.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 120.975 -1.078 . . . . 0.0 109.149 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.81 94.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.613 ' NZ ' ' CE2' ' A' ' 19' ' ' TRP . 17.3 mmtm -63.98 -39.97 95.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.089 -1.007 . . . . 0.0 109.762 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 5.5 tm-20 -60.78 -40.29 92.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.031 -1.043 . . . . 0.0 109.805 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 HD11 ' A' ' 36' ' ' ILE . 96.8 mt -61.72 -39.73 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.37 -39.52 83.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.68 74.17 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.876 -0.515 . . . . 0.0 109.749 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.452 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 68.6 m -73.92 -39.03 64.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.171 -0.955 . . . . 0.0 110.166 -179.474 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.03 117.42 18.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 108.799 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.46 -40.1 93.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.139 -0.976 . . . . 0.0 110.234 -179.212 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.9 -42.07 97.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.413 -0.805 . . . . 0.0 110.183 -179.124 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.2 m -79.21 -23.59 43.69 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.056 -1.027 . . . . 0.0 109.942 -179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -71.44 -66.52 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.25 -0.906 . . . . 0.0 110.268 -178.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -74.83 129.54 37.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.922 -1.111 . . . . 0.0 108.806 179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -87.69 -13.97 41.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.708 -1.245 . . . . 0.0 109.726 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 117.49 -25.4 8.63 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 53.0 mp0 -71.76 45.41 0.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.338 . . . . 0.0 109.468 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -68.46 162.93 24.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.368 -0.833 . . . . 0.0 109.662 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.1 mmm -61.07 156.38 18.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.269 -0.894 . . . . 0.0 109.892 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -139.72 150.34 44.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.306 -0.871 . . . . 0.0 109.723 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.1 138.63 48.51 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -89.22 121.05 31.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -1.083 . . . . 0.0 109.219 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.4 t -134.5 124.3 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.97 -1.081 . . . . 0.0 109.598 179.969 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.249 0.547 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.7 -40.05 95.82 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.393 -0.817 . . . . 0.0 110.129 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 3' ' ' ASP . 31.6 t0 -64.08 -41.26 97.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.546 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 -37.85 95.16 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.33 -39.61 85.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.659 -0.907 . . . . 0.0 109.964 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.86 -49.36 78.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.926 -1.109 . . . . 0.0 110.816 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -67.44 -40.47 85.43 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.987 -1.071 . . . . 0.0 109.084 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -26.77 64.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.558 -0.714 . . . . 0.0 110.102 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.14 131.79 51.92 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.156 -0.965 . . . . 0.0 109.352 -179.328 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 46.9 tt0 -155.38 158.5 38.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.866 . . . . 0.0 109.233 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' B' ' 13' ' ' GLU . 8.5 tp10 -50.05 153.9 1.27 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.204 -0.935 . . . . 0.0 109.39 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 71.1 t60 -67.25 71.91 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.9 . . . . 0.0 109.604 -179.345 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 11' ' ' GLU . 15.3 tt0 -101.73 -149.79 0.39 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.579 0.704 . . . . 0.0 109.62 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.419 ' O ' ' OG ' ' B' ' 17' ' ' SER . 95.5 mttt -70.02 -34.36 73.17 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.609 -0.682 . . . . 0.0 110.996 -179.492 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -60.18 -39.02 85.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.095 -1.003 . . . . 0.0 109.199 -178.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' B' ' 10' ' ' GLU . 7.7 m170 -60.56 -41.3 94.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.79 -1.194 . . . . 0.0 109.025 179.34 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.665 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 90.9 p -60.6 -49.42 77.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.8 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.665 ' N ' ' HG ' ' B' ' 17' ' ' SER . 83.2 m-20 -95.22 88.27 5.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.178 -0.951 . . . . 0.0 109.207 179.39 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 34' ' ' LYS . 66.5 p-90 -70.37 -22.58 62.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.078 -1.014 . . . . 0.0 109.57 179.731 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.94 -39.81 90.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.78 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.067 . . . . 0.0 108.667 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.2 ttm -60.9 -45.59 94.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.851 . . . . 0.0 109.756 -179.865 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.85 -41.94 97.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.082 -1.011 . . . . 0.0 109.531 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -69.28 -40.5 77.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.905 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.56 -40.65 92.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 0.0 109.571 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.34 1.86 41.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.48 -0.763 . . . . 0.0 109.714 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 23' ' ' ALA . 96.0 m-20 53.61 44.4 29.82 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.468 -0.77 . . . . 0.0 109.266 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 56.8 mt -115.36 152.79 47.31 Favored Pre-proline 0 N--CA 1.5 2.074 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.616 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 161.56 45.55 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.688 1.592 . . . . 0.0 110.95 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.56 -17.41 12.79 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.443 2.095 . . . . 0.0 111.623 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.55 -50.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.058 -1.027 . . . . 0.0 110.406 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.93 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.65 98.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 19' ' ' TRP . 17.6 mmtm -63.03 -39.79 95.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.209 -0.932 . . . . 0.0 109.608 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.466 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.2 tm-20 -61.1 -40.66 94.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 109.487 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.26 -40.3 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 108.831 179.771 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.76 -40.53 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.28 73.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.931 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.466 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 69.8 m -73.94 -39.64 63.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.039 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.0 t -76.71 118.9 19.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.064 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.06 -40.18 94.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 110.496 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.01 -41.38 98.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 110.358 -178.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 40.0 m -79.6 -22.45 43.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.787 -1.196 . . . . 0.0 110.037 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.08 -67.36 0.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.256 -0.902 . . . . 0.0 109.913 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -74.23 130.11 39.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.003 -1.06 . . . . 0.0 109.033 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.57 -13.36 40.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.992 -1.067 . . . . 0.0 109.86 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 115.56 -22.88 11.51 Favored Glycine 0 N--CA 1.505 3.233 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 47.4 mp0 -73.86 44.36 0.17 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.906 -1.35 . . . . 0.0 109.215 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -67.04 163.55 19.74 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.448 -0.782 . . . . 0.0 109.921 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.28 154.36 23.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.233 -0.917 . . . . 0.0 109.884 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -137.75 149.91 46.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.392 -0.817 . . . . 0.0 109.262 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.52 141.5 47.42 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -90.56 120.61 31.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -1.103 . . . . 0.0 109.74 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.9 t -133.95 124.04 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.055 -1.028 . . . . 0.0 109.761 179.983 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.27 0.557 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.08 -42.39 94.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.592 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -64.14 -39.96 95.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.994 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.51 97.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.85 -40.07 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.618 -0.931 . . . . 0.0 110.682 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -46.29 89.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.15 . . . . 0.0 109.645 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.45 -39.96 77.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.104 -0.997 . . . . 0.0 109.172 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.14 62.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.54 -0.725 . . . . 0.0 110.109 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.15 137.68 58.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.179 -0.951 . . . . 0.0 109.876 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -158.42 165.71 34.0 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -59.48 152.15 22.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.091 -1.005 . . . . 0.0 109.48 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.91 78.05 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.428 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 11' ' ' GLU . 75.5 mm-40 -100.59 -159.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.638 -0.663 . . . . 0.0 109.38 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.01 -30.64 68.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.244 -0.91 . . . . 0.0 109.758 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.03 -36.25 76.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.387 -0.821 . . . . 0.0 109.188 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -59.96 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.052 -1.03 . . . . 0.0 109.182 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -60.06 -45.74 91.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.966 -1.084 . . . . 0.0 109.118 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.12 88.98 5.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 109.435 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.94 -29.02 66.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.948 . . . . 0.0 109.684 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 40.3 mtm-85 -60.8 -41.06 94.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 110.481 -178.9 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.963 -1.086 . . . . 0.0 109.056 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 ttp -65.37 -40.68 93.85 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.439 -0.788 . . . . 0.0 109.578 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.93 96.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.232 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -66.26 -39.98 89.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 0.0 109.907 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.61 -40.02 95.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -0.924 . . . . 0.0 110.025 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -98.42 -0.53 43.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 53.85 46.52 25.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.779 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.21 150.9 46.05 Favored Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.35 159.93 51.78 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 121.342 1.361 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.66 -21.22 10.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.685 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.47 -54.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.84 -44.99 92.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.413 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.92 89.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.428 -0.795 . . . . 0.0 109.85 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -63.28 -39.34 94.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.154 -0.966 . . . . 0.0 110.066 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.73 -1.232 . . . . 0.0 109.692 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.2 -39.96 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.406 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.68 -39.96 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.94 95.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 109.384 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m -71.59 -39.98 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.94 111.46 10.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.982 -1.074 . . . . 0.0 108.772 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.15 -39.92 88.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.323 -0.861 . . . . 0.0 110.674 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.38 -40.02 89.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 110.375 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.23 -27.27 47.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.023 -1.048 . . . . 0.0 110.038 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.589 HE21 ' HG3' ' B' ' 44' ' ' GLN . 62.6 tt0 -77.11 -74.25 0.26 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.25 -0.906 . . . . 0.0 110.534 -178.544 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.35 140.01 50.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.094 -1.004 . . . . 0.0 109.158 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -88.51 -7.67 56.12 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.083 -1.01 . . . . 0.0 109.541 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.42 -21.33 41.48 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -74.64 -164.66 0.29 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.88 -1.365 . . . . 0.0 108.693 179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 67.37 49.18 1.06 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.155 -0.966 . . . . 0.0 109.605 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.4 ttm -154.03 136.98 15.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.04 -1.037 . . . . 0.0 109.334 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -68.12 160.02 29.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.166 -0.959 . . . . 0.0 109.968 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.63 133.19 3.43 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 50.0 -150.64 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.434 -1.039 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.15 127.97 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.24 -0.912 . . . . 0.0 109.618 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.384 179.322 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.0 -42.59 94.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.231 -0.918 . . . . 0.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.06 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.44 97.12 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.91 -40.06 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -1.008 . . . . 0.0 110.707 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.04 -46.32 89.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.941 -1.099 . . . . 0.0 109.588 -179.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.38 -40.07 77.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.936 . . . . 0.0 109.167 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.2 63.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.577 -0.702 . . . . 0.0 110.168 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.14 137.69 58.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 0.0 109.88 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -158.47 165.61 34.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.0 108.791 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 13' ' ' GLU . 51.1 mt-10 -59.27 152.13 21.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.948 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.92 78.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.425 -0.797 . . . . 0.0 109.405 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 11' ' ' GLU . 75.6 mm-40 -100.47 -159.29 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.632 -0.668 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -30.63 67.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -60.04 -36.19 76.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.313 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -60.09 -39.93 87.83 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.092 -1.005 . . . . 0.0 109.141 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -60.16 -45.7 92.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.873 -1.142 . . . . 0.0 109.037 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.08 89.01 5.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.99 -29.02 66.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.664 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.404 ' NH1' ' HG3' ' B' ' 20' ' ' ARG . 40.1 mtm-85 -60.85 -40.97 94.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -178.826 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.27 95.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.989 -1.07 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -65.3 -40.74 94.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.443 -0.786 . . . . 0.0 109.617 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.92 96.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.081 -1.012 . . . . 0.0 109.229 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -66.25 -39.99 89.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.391 -0.818 . . . . 0.0 109.896 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.56 -40.01 95.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.149 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -98.57 -0.42 43.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.198 -0.939 . . . . 0.0 109.989 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 53.85 46.42 25.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 109.76 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -116.12 150.86 45.9 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.24 159.97 51.7 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 121.303 1.336 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.66 -21.27 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.361 2.04 . . . . 0.0 111.768 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.44 -54.41 31.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 110.39 -178.948 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.85 -45.07 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.111 -0.993 . . . . 0.0 109.388 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.85 89.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.32 -39.23 93.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.121 -0.987 . . . . 0.0 110.105 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.633 -1.292 . . . . 0.0 109.634 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.21 -40.05 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.968 -1.082 . . . . 0.0 108.458 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.6 -40.0 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.95 95.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.611 -0.68 . . . . 0.0 109.32 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.8 m -71.57 -40.04 70.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.057 -1.027 . . . . 0.0 109.535 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -74.96 111.37 10.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.958 -1.089 . . . . 0.0 108.776 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.13 -39.96 88.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.347 -0.845 . . . . 0.0 110.549 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.26 -39.92 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.0 110.513 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.27 -27.39 47.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.589 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.3 tt0 -77.02 -74.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 110.619 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.28 140.04 50.19 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.126 -0.984 . . . . 0.0 109.175 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -88.45 -7.47 56.52 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.038 -1.039 . . . . 0.0 109.547 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.24 -21.28 42.0 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -74.79 -164.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.861 -1.376 . . . . 0.0 108.688 179.24 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 67.49 48.94 1.05 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.116 -0.99 . . . . 0.0 109.628 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.3 ttm -153.95 136.83 15.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.121 -0.987 . . . . 0.0 109.42 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -68.05 159.92 29.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.187 -0.945 . . . . 0.0 109.93 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.59 133.26 3.47 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 49.99 -150.56 0.21 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.391 -1.064 . . . . 0.0 109.462 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.26 127.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.358 -0.839 . . . . 0.0 109.571 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.359 179.292 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.64 -40.08 84.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.51 -43.14 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.956 . . . . 0.0 110.383 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.39 97.32 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.76 -40.07 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.641 -0.917 . . . . 0.0 110.327 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.98 -48.61 81.01 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 -178.538 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.79 -40.02 79.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.854 -1.154 . . . . 0.0 109.649 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -28.77 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.017 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.49 137.6 58.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.782 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -169.9 163.93 9.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.34 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.966 -1.084 . . . . 0.0 109.513 -179.436 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -70.15 79.02 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.099 -1.001 . . . . 0.0 110.29 -178.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -77.13 170.56 16.32 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.9 -28.16 69.65 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.3 -24.34 64.9 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.397 -0.814 . . . . 0.0 110.117 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.74 -39.91 86.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.805 -1.184 . . . . 0.0 109.39 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -60.42 -43.08 97.11 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.771 -1.206 . . . . 0.0 108.9 179.346 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -92.62 85.0 5.14 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.162 -0.961 . . . . 0.0 109.288 179.161 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -70.14 -26.74 64.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.242 -0.911 . . . . 0.0 109.842 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.92 -41.38 96.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.115 -0.99 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.07 90.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 109.648 -179.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -60.92 -43.33 98.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 110.013 -179.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.64 93.16 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 109.681 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -64.77 -39.92 94.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.444 -0.785 . . . . 0.0 110.231 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.72 -40.04 95.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.956 . . . . 0.0 110.225 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -100.41 1.2 41.1 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.178 -0.951 . . . . 0.0 110.242 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.85 46.74 23.84 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.371 -0.831 . . . . 0.0 109.589 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.1 mt -118.99 151.62 50.66 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.0 Cg_endo -70.26 148.62 62.25 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.639 1.559 . . . . 0.0 111.342 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -41.6 -20.37 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.277 1.985 . . . . 0.0 112.74 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.7 t -60.08 -50.5 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 111.035 -178.146 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.58 -41.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 120.874 -1.141 . . . . 0.0 109.171 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.19 95.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.9 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.72 -37.53 86.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.059 -1.026 . . . . 0.0 110.058 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 11.2 tm-20 -59.92 -40.08 87.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.962 -1.086 . . . . 0.0 109.616 -179.326 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.18 -40.02 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.842 -1.162 . . . . 0.0 108.784 179.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -40.1 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.853 . . . . 0.0 108.806 178.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.95 93.8 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.615 -0.678 . . . . 0.0 109.44 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 58.3 m -72.07 -39.95 68.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 109.678 -179.491 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 t -76.02 107.6 8.34 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.05 -39.83 87.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 109.943 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 -32.38 59.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.987 -1.07 . . . . 0.0 109.582 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.689 HE21 ' CG ' ' B' ' 44' ' ' GLN . 57.9 tt0 -79.41 -70.01 0.54 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 111.362 -177.743 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.36 114.45 11.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.097 -1.002 . . . . 0.0 110.38 -178.498 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -86.3 -45.72 10.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.319 178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.22 41.5 0.16 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.656 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.04 -23.92 65.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.168 -1.195 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.99 -163.44 0.09 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.514 -0.741 . . . . 0.0 110.073 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.7 ttp -146.72 -68.22 0.26 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.932 -179.4 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.683 ' CD2' ' H ' ' A' ' 52' ' ' GLY . 48.0 t60 58.18 -150.71 0.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.395 -0.815 . . . . 0.0 109.219 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.683 ' H ' ' CD2' ' A' ' 51' ' ' HIS . . . 93.69 -38.94 3.02 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -100.81 129.33 46.67 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.499 -1.001 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.2 t -106.31 120.67 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.551 -0.718 . . . . 0.0 109.107 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.584 -179.603 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.4 -40.02 85.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.441 -0.787 . . . . 0.0 110.069 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.78 -43.19 99.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.293 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -39.59 97.51 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.57 -40.0 83.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.62 -0.929 . . . . 0.0 110.414 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.98 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.929 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.75 -40.11 79.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.844 -1.16 . . . . 0.0 109.658 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.85 65.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.454 -0.779 . . . . 0.0 110.081 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.4 137.74 58.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.774 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -169.93 164.0 9.58 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.51 169.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.892 -1.13 . . . . 0.0 109.491 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -69.99 79.04 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.107 -0.996 . . . . 0.0 110.347 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -77.08 170.67 16.11 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.08 -27.92 69.43 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.55 -23.97 65.03 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.3 -0.875 . . . . 0.0 110.072 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.747 -1.22 . . . . 0.0 109.277 -179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -60.46 -42.98 97.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 108.793 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -92.77 84.79 5.04 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 179.095 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -70.07 -26.57 64.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.0 109.874 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.89 -41.01 95.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.837 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.96 91.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.845 . . . . 0.0 109.651 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.9 ttm -61.08 -43.27 99.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.38 -0.825 . . . . 0.0 109.875 -179.377 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.28 94.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.762 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -65.25 -40.03 93.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 110.197 -179.46 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.59 -40.01 95.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.96 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -100.25 1.43 41.77 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.294 -0.879 . . . . 0.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.48 46.82 24.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 109.642 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -118.99 151.42 50.39 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.419 -0.8 . . . . 0.0 108.867 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.5 Cg_endo -70.11 148.56 63.1 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.628 1.552 . . . . 0.0 111.407 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.59 -20.4 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.301 2.001 . . . . 0.0 112.688 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.6 t -60.02 -50.71 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.903 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.24 -41.8 81.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.868 -1.145 . . . . 0.0 109.129 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.26 95.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.354 -0.841 . . . . 0.0 109.826 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.67 -37.76 87.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.059 -1.026 . . . . 0.0 109.918 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.441 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 11.4 tm-20 -59.92 -40.08 87.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.931 -1.106 . . . . 0.0 109.455 -179.253 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.91 -40.07 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.778 -1.202 . . . . 0.0 108.813 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.21 -40.01 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.28 -39.81 93.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.696 -0.628 . . . . 0.0 109.462 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.441 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 58.1 m -72.21 -39.96 68.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -0.954 . . . . 0.0 109.622 -179.702 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.99 107.64 8.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 108.285 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.447 -0.783 . . . . 0.0 109.857 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.01 -40.08 87.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.378 -0.826 . . . . 0.0 110.034 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -75.84 -32.16 59.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.002 -1.061 . . . . 0.0 109.694 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.689 ' CG ' HE21 ' A' ' 44' ' ' GLN . 7.4 tt0 -79.55 -70.01 0.54 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 111.318 -177.899 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.54 114.36 11.69 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.103 -0.998 . . . . 0.0 110.33 -178.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -86.23 -45.7 11.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.476 -0.765 . . . . 0.0 109.27 178.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.24 41.17 0.16 Allowed Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.72 -23.8 66.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -1.187 . . . . 0.0 109.459 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.83 -163.5 0.09 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.503 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.4 ttp -146.66 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.851 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.698 ' CD2' ' H ' ' B' ' 52' ' ' GLY . 48.5 t60 58.13 -150.54 0.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.877 . . . . 0.0 109.218 -179.54 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.698 ' H ' ' CD2' ' B' ' 51' ' ' HIS . . . 93.55 -38.75 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -100.93 129.53 46.8 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -1.076 . . . . 0.0 109.461 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.4 120.72 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 118.095 -0.955 . . . . 0.0 108.578 -179.572 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.488 0.661 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.76 -42.44 98.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.705 -0.622 . . . . 0.0 111.031 -178.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.02 -40.61 98.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.929 -1.107 . . . . 0.0 109.83 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -40.06 98.23 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.66 -40.71 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.671 -0.899 . . . . 0.0 110.551 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -59.84 -46.59 88.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.797 -1.19 . . . . 0.0 110.022 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.16 -40.31 82.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.172 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -28.59 65.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.145 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.33 140.2 58.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.0 109.833 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.89 -179.79 5.45 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLU . 88.2 tt0 -61.44 152.1 30.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.666 -1.271 . . . . 0.0 109.898 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 64.4 t60 -64.02 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.61 0.719 . . . . 0.0 110.076 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.8 mt-10 -84.35 -165.64 1.22 Allowed 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.668 -0.645 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.12 -29.3 66.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.733 -0.604 . . . . 0.0 109.465 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.25 -32.49 68.41 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.426 -0.796 . . . . 0.0 109.919 -178.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -59.86 -40.23 87.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.681 -1.262 . . . . 0.0 108.463 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -47.15 85.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -93.04 82.17 4.59 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -69.68 -27.72 65.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.185 -0.947 . . . . 0.0 109.924 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.69 -40.3 94.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.039 -1.038 . . . . 0.0 110.419 -179.239 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.53 96.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -0.922 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.06 97.51 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.586 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -68.67 -39.84 80.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.83 -41.29 95.47 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.191 -0.943 . . . . 0.0 110.201 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -98.42 1.18 46.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.101 -1.0 . . . . 0.0 109.287 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 55.2 43.2 29.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.422 -0.799 . . . . 0.0 110.583 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 mt -111.85 150.24 42.01 Favored Pre-proline 0 N--CA 1.503 2.196 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 42.1 Cg_endo -68.77 148.96 72.48 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.416 1.41 . . . . 0.0 111.292 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.43 -20.4 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.072 1.848 . . . . 0.0 112.041 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' PRO . 74.2 t -59.62 -52.05 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.142 -0.974 . . . . 0.0 111.118 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.97 -41.42 81.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.894 -1.129 . . . . 0.0 109.192 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.68 93.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -63.77 -40.16 96.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.083 -1.011 . . . . 0.0 109.725 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -61.41 -41.03 96.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.945 -1.097 . . . . 0.0 110.096 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.99 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.76 -40.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.561 -0.712 . . . . 0.0 109.892 -179.06 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 m -70.37 -38.44 74.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.064 -1.022 . . . . 0.0 109.414 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.4 110.68 8.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.17 -0.956 . . . . 0.0 108.881 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.584 0.706 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -59.67 -39.63 85.1 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.01 -1.056 . . . . 0.0 109.479 -178.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.84 -47.47 21.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.097 -1.002 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -64.68 -60.13 3.46 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.322 -0.861 . . . . 0.0 110.863 -178.02 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.81 150.06 39.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.223 -0.923 . . . . 0.0 108.803 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -83.59 -9.85 58.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.394 -0.816 . . . . 0.0 109.662 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.87 -131.43 8.47 Favored Glycine 0 N--CA 1.497 2.722 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.98 139.75 45.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -1.153 . . . . 0.0 109.786 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 -57.95 0.35 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.27 -0.894 . . . . 0.0 108.904 179.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.6 tpp -61.66 140.32 58.18 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.444 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 38.5 p-80 -67.25 112.22 4.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.962 -1.086 . . . . 0.0 109.151 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.65 -79.19 0.96 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -113.01 130.4 56.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.648 -0.913 . . . . 0.0 109.12 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -136.13 15.81 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.102 -0.999 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 10.0 p-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.32 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.631 0.729 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.96 -42.99 99.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.456 -0.777 . . . . 0.0 111.131 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.28 -41.44 98.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -0.953 . . . . 0.0 109.977 -179.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -39.92 97.92 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.53 -40.45 86.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.461 -1.023 . . . . 0.0 110.662 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.905 -1.122 . . . . 0.0 110.091 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -68.08 -40.2 82.74 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.755 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -29.4 65.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.352 -0.842 . . . . 0.0 109.916 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.14 140.28 57.93 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.465 -0.772 . . . . 0.0 109.352 -178.724 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -166.0 179.98 5.52 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 13' ' ' GLU . 88.5 tt0 -60.95 152.6 27.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.77 -1.206 . . . . 0.0 109.849 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 62.8 t60 -64.88 72.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.535 -0.728 . . . . 0.0 109.58 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 11' ' ' GLU . 60.6 mt-10 -85.86 -165.03 1.12 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.57 0.7 . . . . 0.0 109.482 179.607 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.96 -29.6 66.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.338 0.589 . . . . 0.0 109.48 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -56.85 -33.35 66.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.257 -0.902 . . . . 0.0 109.952 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -59.4 -40.61 87.15 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.91 -1.119 . . . . 0.0 108.748 179.467 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 57.8 p -62.08 -48.13 81.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.031 -1.043 . . . . 0.0 109.143 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.62 83.73 4.94 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.346 -0.846 . . . . 0.0 108.756 178.773 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.17 -28.63 65.48 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.292 -0.88 . . . . 0.0 109.776 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.19 -40.21 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.281 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.89 97.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.67 -1.269 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.94 -42.41 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.243 -0.91 . . . . 0.0 109.866 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.76 96.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.02 -1.05 . . . . 0.0 109.909 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -67.72 -40.47 84.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 109.943 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.57 -41.13 93.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.318 -0.863 . . . . 0.0 110.091 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -98.66 0.94 45.72 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.243 -0.91 . . . . 0.0 109.674 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 55.89 40.8 30.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.428 -0.795 . . . . 0.0 110.695 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -109.84 150.49 41.41 Favored Pre-proline 0 N--CA 1.501 2.101 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.0 Cg_endo -68.58 149.24 73.9 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.597 1.531 . . . . 0.0 111.178 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -43.33 -20.06 0.19 Allowed 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 121.756 1.637 . . . . 0.0 112.176 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.2 t -59.92 -51.54 71.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.199 -0.938 . . . . 0.0 110.901 -178.222 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.97 -40.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.925 -1.11 . . . . 0.0 109.198 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.12 91.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.189 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -63.08 -40.03 96.45 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.991 -1.068 . . . . 0.0 109.671 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.57 -41.2 97.05 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.943 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -40.69 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.81 -39.87 86.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.88 67.7 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.595 -0.691 . . . . 0.0 109.996 -178.799 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.0 m -71.0 -37.75 72.67 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 109.283 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -74.21 110.29 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.289 -0.882 . . . . 0.0 109.05 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -39.44 85.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.663 -0.648 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -59.85 -38.91 83.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.105 -0.997 . . . . 0.0 109.545 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.82 -47.07 19.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.727 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.02 -59.97 3.56 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.29 -0.881 . . . . 0.0 110.679 -177.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.63 150.43 39.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.312 -0.868 . . . . 0.0 109.02 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -9.35 58.68 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.236 -0.915 . . . . 0.0 109.384 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.86 -129.79 7.79 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -75.43 139.85 42.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -1.077 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.61 -56.73 0.31 Allowed 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 45.4 tpp -63.36 140.41 58.87 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.453 ' O ' ' CG ' ' B' ' 51' ' ' HIS . 33.9 p-80 -67.06 111.78 4.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.096 -1.002 . . . . 0.0 109.553 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 -80.65 0.91 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -111.59 128.98 56.21 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.57 -0.959 . . . . 0.0 109.098 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -135.43 15.1 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 8.7 p-10 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.807 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.576 0.703 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.642 -0.661 . . . . 0.0 110.222 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.07 -40.36 94.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 0.0 110.551 -179.312 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.02 98.7 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.653 -1.779 . . . . 0.0 108.653 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.416 HD11 HG22 ' A' ' 5' ' ' ILE . 82.1 mt -67.92 -40.05 82.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.556 -0.967 . . . . 0.0 109.998 -179.642 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.0 -50.09 75.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.38 -40.04 81.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.021 -1.05 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -23.91 63.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.638 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.96 140.11 58.35 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.934 -1.104 . . . . 0.0 109.769 -179.033 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.92 158.38 8.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.51 -0.744 . . . . 0.0 109.399 -179.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 13' ' ' GLU . 43.0 tt0 -46.48 157.13 0.15 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 109.867 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.1 t60 -66.89 67.67 0.06 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' GLU . 68.7 mm-40 -82.34 -165.32 0.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 0.0 109.968 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' A' ' 17' ' ' SER . 96.4 mttt -69.99 -28.84 65.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 109.616 -179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -59.89 -33.71 72.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.927 . . . . 0.0 109.736 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.88 -40.58 89.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.844 -1.16 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.586 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 89.0 p -61.09 -43.04 99.49 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.889 -1.132 . . . . 0.0 108.356 179.133 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.586 ' N ' ' HG ' ' A' ' 17' ' ' SER . 35.0 m120 -94.63 81.52 3.88 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.366 -0.834 . . . . 0.0 109.296 179.187 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -69.94 -27.6 64.89 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.197 -0.94 . . . . 0.0 109.802 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.92 -40.11 91.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 109.784 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.09 99.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 109.788 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -62.15 -41.03 97.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.836 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.05 96.25 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.141 -0.974 . . . . 0.0 108.937 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -69.06 -40.17 78.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 110.055 -179.589 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -100.29 2.6 42.79 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.346 -0.846 . . . . 0.0 110.507 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.21 46.52 26.35 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -118.51 151.91 50.34 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.185 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.91 150.21 60.83 Favored 'Trans proline' 0 N--CA 1.49 1.312 0 C-N-CA 121.407 1.405 . . . . 0.0 111.083 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -42.44 -18.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.877 1.718 . . . . 0.0 111.842 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.3 t -60.12 -51.58 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.06 -1.025 . . . . 0.0 110.933 -178.321 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.03 -40.21 80.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.93 -1.106 . . . . 0.0 109.096 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.82 97.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.443 -0.786 . . . . 0.0 109.823 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -61.53 -40.08 93.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.021 -1.049 . . . . 0.0 110.275 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.11 -41.22 92.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.896 -1.128 . . . . 0.0 109.668 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.41 -40.15 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.021 -1.049 . . . . 0.0 108.548 179.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.06 -41.34 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.488 -0.757 . . . . 0.0 109.199 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.1 -31.52 69.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.336 -0.853 . . . . 0.0 109.466 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -73.18 -37.32 66.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.3 t -74.02 111.39 9.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.102 -0.999 . . . . 0.0 108.831 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.21 -39.98 88.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.97 -40.03 87.69 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 110.409 -179.22 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.57 -33.35 60.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.839 -1.163 . . . . 0.0 110.438 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.634 HE21 ' HG3' ' B' ' 44' ' ' GLN . 51.0 tt0 -79.74 -70.18 0.53 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.18 -0.95 . . . . 0.0 110.948 -177.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.2 mt -76.39 124.65 27.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.058 . . . . 0.0 109.881 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 47' ' ' GLY . 7.1 ptmm? -96.65 119.25 34.78 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . 50.79 176.39 0.02 OUTLIER Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.659 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -86.33 150.75 24.12 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.176 -1.191 . . . . 0.0 110.095 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 142.42 58.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.468 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -170.0 131.72 1.05 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.534 ' H ' ' H ' ' B' ' 51' ' ' HIS . 75.0 t60 -60.09 -40.42 89.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.963 -1.085 . . . . 0.0 109.804 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.78 -162.88 12.24 Favored Glycine 0 N--CA 1.502 3.053 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.64 142.66 49.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.618 -0.931 . . . . 0.0 110.156 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 13.8 p -99.38 -0.49 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.479 -0.763 . . . . 0.0 109.07 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.5 t0 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.542 -179.892 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.487 0.661 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.55 -40.2 93.83 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.637 -0.665 . . . . 0.0 110.327 -179.414 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.04 -40.22 94.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 110.523 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.0 98.68 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.418 HG22 HD11 ' B' ' 5' ' ' ILE . 81.8 mt -67.87 -40.11 82.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.726 -0.867 . . . . 0.0 110.101 -179.786 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.02 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.211 -0.93 . . . . 0.0 110.442 -179.061 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -68.25 -39.99 82.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.923 -1.111 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.35 63.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.58 140.01 58.18 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.088 -1.008 . . . . 0.0 109.749 -179.152 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.88 158.7 9.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.523 -0.736 . . . . 0.0 109.25 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 42.6 tt0 -46.85 157.49 0.15 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.826 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.1 t60 -67.22 67.56 0.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 109.741 -179.383 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 67.7 mm-40 -82.33 -165.16 0.95 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.308 -0.87 . . . . 0.0 109.88 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.401 ' O ' ' OG ' ' B' ' 17' ' ' SER . 96.4 mttt -70.02 -28.72 65.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.388 -0.82 . . . . 0.0 109.629 -179.911 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -59.79 -33.96 72.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.524 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.03 -40.4 89.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.636 -1.29 . . . . 0.0 108.787 -179.444 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.589 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 89.4 p -61.15 -43.2 99.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.939 -1.101 . . . . 0.0 108.475 179.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.589 ' N ' ' HG ' ' B' ' 17' ' ' SER . 35.5 m120 -94.23 81.84 4.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.212 179.198 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.206 -0.934 . . . . 0.0 109.88 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -60.76 -40.09 91.19 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.48 -41.01 98.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.915 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.17 96.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.069 -1.02 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -68.93 -40.12 79.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.186 -0.946 . . . . 0.0 109.738 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -61.61 -40.0 93.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.266 -0.896 . . . . 0.0 109.94 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.11 2.31 43.03 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.36 -0.838 . . . . 0.0 110.53 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 53.49 46.32 26.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 110.362 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.4 151.74 49.95 Favored Pre-proline 0 N--CA 1.504 2.274 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.7 Cg_endo -70.73 150.01 61.59 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.482 1.455 . . . . 0.0 111.179 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -42.14 -18.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.836 1.691 . . . . 0.0 111.753 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.0 t -59.68 -51.74 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.045 -1.035 . . . . 0.0 111.087 -178.279 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.29 -39.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.076 -1.015 . . . . 0.0 109.183 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.71 97.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.425 -0.797 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -61.84 -39.82 93.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.03 -41.57 92.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.557 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.18 -40.06 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.959 -1.088 . . . . 0.0 108.666 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.1 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.456 -0.777 . . . . 0.0 109.305 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.63 69.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -73.17 -37.47 66.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.451 -0.781 . . . . 0.0 109.516 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -73.96 111.19 8.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.176 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.09 -39.94 87.87 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 110.171 -179.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.82 -33.23 60.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.879 -1.138 . . . . 0.0 110.487 -179.487 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.634 ' HG3' HE21 ' A' ' 44' ' ' GLN . 10.9 tt0 -79.86 -70.01 0.55 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 110.947 -177.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.63 124.39 27.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.152 -0.968 . . . . 0.0 109.924 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 47' ' ' GLY . 7.3 ptmm? -96.49 119.37 34.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 109.437 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . 50.58 176.46 0.02 OUTLIER Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -86.12 150.84 24.14 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.161 -1.2 . . . . 0.0 110.016 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 141.8 58.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.407 -0.808 . . . . 0.0 109.603 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.24 131.76 1.23 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.292 -0.88 . . . . 0.0 108.695 -179.817 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.534 ' H ' ' H ' ' A' ' 51' ' ' HIS . 72.5 t60 -59.96 -40.47 89.13 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.953 -1.092 . . . . 0.0 109.781 -179.73 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.33 -162.8 12.25 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -71.35 142.63 50.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.484 -1.009 . . . . 0.0 110.217 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.4 p -100.01 0.06 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.352 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.417 -179.938 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.455 0.645 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.81 -40.43 92.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.0 110.089 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.02 -40.3 96.03 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.311 -179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -33.31 73.06 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.48 -39.22 80.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.613 -0.934 . . . . 0.0 110.093 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.17 -46.87 88.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.094 -1.004 . . . . 0.0 109.443 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -68.95 -40.51 78.89 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.754 -0.779 . . . . 0.0 110.118 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.34 68.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.875 . . . . 0.0 110.333 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -61.27 140.13 58.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 110.35 -178.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.39 172.79 4.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 13' ' ' GLU . 78.4 mm-40 -54.99 162.25 1.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 -179.297 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -65.32 72.57 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.475 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.8 tt0 -79.21 169.96 17.35 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -27.62 69.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 108.79 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.64 -26.17 61.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.201 -0.937 . . . . 0.0 109.09 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -60.21 -39.94 88.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.034 -1.041 . . . . 0.0 108.556 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.38 -41.39 97.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.961 -1.087 . . . . 0.0 109.062 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -92.73 83.56 4.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 108.961 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.1 p-90 -70.31 -25.95 63.56 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.471 -0.768 . . . . 0.0 109.495 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -61.14 -39.22 89.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.828 . . . . 0.0 109.804 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.49 97.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.37 -47.87 84.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.225 -0.922 . . . . 0.0 109.653 179.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.56 -40.17 96.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.147 -0.971 . . . . 0.0 109.41 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 t -68.91 -40.25 79.23 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.413 -0.804 . . . . 0.0 109.965 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.58 -40.14 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.16 -0.963 . . . . 0.0 109.935 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.41 -0.27 26.22 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.212 -0.93 . . . . 0.0 110.46 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.85 41.61 32.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.248 -0.907 . . . . 0.0 110.453 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 mt -107.18 136.43 19.51 Favored Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.125 -0.984 . . . . 0.0 108.678 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_exo -44.91 142.65 5.06 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.488 1.459 . . . . 0.0 111.393 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.83 -17.35 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.864 1.709 . . . . 0.0 112.292 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' PRO . 96.0 t -59.63 -50.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.877 -178.457 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.69 -45.63 91.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.896 -1.127 . . . . 0.0 108.886 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.91 -48.23 82.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.907 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.38 -39.28 92.67 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.998 -1.064 . . . . 0.0 110.418 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -60.82 -40.27 92.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.274 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.3 mt -64.76 -40.24 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.933 -1.104 . . . . 0.0 108.852 179.576 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 67.3 t -62.73 -40.31 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -29.73 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 110.067 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -73.66 -34.04 64.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.131 -0.98 . . . . 0.0 109.954 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.79 116.53 15.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.002 -1.061 . . . . 0.0 108.316 179.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.64 -39.84 89.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.314 -0.866 . . . . 0.0 109.947 -179.021 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.98 -39.48 89.81 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 110.007 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.0 m -76.21 -38.79 55.99 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.987 -1.071 . . . . 0.0 110.475 -179.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -77.96 -70.09 0.5 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.425 -0.797 . . . . 0.0 109.761 -177.77 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.21 124.98 26.7 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.139 -0.976 . . . . 0.0 108.855 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -93.5 124.95 37.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.098 -1.001 . . . . 0.0 109.492 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.9 -144.36 35.11 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -92.61 136.71 32.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.232 -1.158 . . . . 0.0 108.812 179.617 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.86 56.05 0.63 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.333 -0.854 . . . . 0.0 109.389 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.4 ptm -170.0 169.82 7.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.611 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' HE2' ' CG1' ' A' ' 54' ' ' VAL . 11.7 t-160 -57.39 135.89 56.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.043 -1.035 . . . . 0.0 109.006 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.3 -160.9 11.32 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.549 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -65.16 142.43 58.35 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.399 -1.059 . . . . 0.0 110.139 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.465 ' CG1' ' HE2' ' A' ' 51' ' ' HIS . 30.6 m -98.86 140.54 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.42 -0.8 . . . . 0.0 109.641 179.797 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' OXT' ' A' ' 55' ' ' ASP . 9.4 t70 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.315 0.579 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.45 -40.55 94.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.81 -40.23 96.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.396 -0.815 . . . . 0.0 110.396 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 -33.48 68.17 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -67.8 -39.63 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.487 -1.007 . . . . 0.0 109.696 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.55 -46.98 87.29 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.576 -179.132 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -68.89 -40.07 79.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.376 -0.827 . . . . 0.0 109.977 -179.284 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.85 67.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.294 -0.879 . . . . 0.0 110.341 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -61.84 140.18 58.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.0 110.584 -178.385 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -172.82 174.4 3.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' B' ' 13' ' ' GLU . 77.4 mm-40 -56.95 162.1 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.0 109.802 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.94 72.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.119 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 11' ' ' GLU . 62.5 tt0 -79.25 171.01 15.78 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.08 -27.69 69.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 108.661 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -56.79 -26.92 58.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.152 -0.968 . . . . 0.0 108.991 179.383 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -59.87 -40.27 88.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.864 -1.147 . . . . 0.0 108.722 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -61.52 -40.39 94.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.986 -1.071 . . . . 0.0 109.296 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -93.26 83.33 4.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.27 -0.894 . . . . 0.0 109.28 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -70.05 -26.18 63.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.024 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -60.96 -39.9 91.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.349 -0.844 . . . . 0.0 109.682 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.71 94.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.245 -0.909 . . . . 0.0 109.264 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 38.6 ttm -60.22 -48.96 79.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 109.651 179.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -61.59 -40.01 93.26 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.317 -0.865 . . . . 0.0 109.414 -179.702 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -69.09 -40.05 78.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.868 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.85 -40.83 94.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.118 -0.989 . . . . 0.0 110.013 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -105.02 -0.5 26.74 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.309 -0.869 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.06 40.86 32.06 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.21 -0.931 . . . . 0.0 110.72 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.28 135.92 19.41 Favored Pre-proline 0 N--CA 1.504 2.247 0 O-C-N 121.131 -0.98 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' B' ' 31' ' ' VAL . 86.3 Cg_exo -44.44 142.77 4.26 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.446 1.431 . . . . 0.0 111.536 179.331 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -42.13 -17.24 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.926 1.751 . . . . 0.0 112.054 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.0 t -59.79 -50.52 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 110.661 -178.322 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.77 -45.74 90.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.008 -1.057 . . . . 0.0 109.041 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.84 -48.52 81.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 110.039 179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.79 -39.69 92.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 110.199 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.56 -39.96 89.9 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.797 -179.312 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.8 mt -65.46 -39.98 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.862 -1.149 . . . . 0.0 108.807 179.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.82 -39.94 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.124 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.9 67.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.507 -0.746 . . . . 0.0 110.266 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -74.82 -33.53 62.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.071 -1.018 . . . . 0.0 109.826 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 t -74.04 116.71 14.98 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.015 -1.053 . . . . 0.0 108.454 179.212 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 0.0 109.86 -179.104 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.07 -39.67 93.19 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.467 -0.77 . . . . 0.0 110.254 -178.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.6 -39.03 58.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.868 -1.145 . . . . 0.0 110.27 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -77.16 -70.02 0.49 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.534 -0.729 . . . . 0.0 110.113 -177.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.4 mt -74.76 123.54 25.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.099 -1.001 . . . . 0.0 109.023 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -91.71 124.81 36.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.095 -1.003 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.4 -143.08 35.42 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -93.5 136.54 33.68 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -1.178 . . . . 0.0 108.884 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.75 54.96 0.64 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.48 -0.762 . . . . 0.0 109.444 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 18.1 ptm -170.01 170.5 7.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.421 -0.799 . . . . 0.0 109.406 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.451 ' HE2' ' CG1' ' B' ' 54' ' ' VAL . 11.6 t-160 -58.18 137.44 57.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.094 -1.004 . . . . 0.0 109.253 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.95 -162.59 11.65 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.63 144.31 56.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.378 -1.072 . . . . 0.0 109.853 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.451 ' CG1' ' HE2' ' B' ' 51' ' ' HIS . 26.7 m -100.33 140.34 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.561 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.104 -0.998 . . . . 0.0 109.619 -179.829 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.632 0.73 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.6 -40.05 90.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.537 -0.727 . . . . 0.0 109.932 -178.821 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.33 -40.6 97.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.142 -0.974 . . . . 0.0 110.175 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -36.58 92.44 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.712 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -67.43 -40.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.429 -1.042 . . . . 0.0 110.398 -179.421 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -52.53 64.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.025 -1.047 . . . . 0.0 109.922 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -69.66 -39.99 76.71 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.515 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.42 76.33 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.693 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.6 tt0 -62.89 134.54 56.38 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.741 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -148.34 -164.99 2.15 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.915 -1.116 . . . . 0.0 109.433 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' GLU . 37.4 tt0 -72.27 148.43 45.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.176 -0.953 . . . . 0.0 109.161 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.7 t60 -67.45 69.99 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.302 -0.874 . . . . 0.0 109.169 -179.813 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 tp10 -100.95 -151.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.514 -0.742 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' A' ' 13' ' ' GLU . 44.1 mtpt -70.41 -28.82 65.37 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.572 -0.705 . . . . 0.0 109.862 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.57 -39.77 85.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.252 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -59.84 -40.22 87.78 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.851 -1.156 . . . . 0.0 108.475 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.529 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 57.0 p -61.69 -40.9 96.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.945 -1.097 . . . . 0.0 109.558 179.807 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.529 ' N ' ' HG ' ' A' ' 17' ' ' SER . 31.1 m120 -96.89 85.48 3.79 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 179.534 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -70.06 -26.49 64.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.51 -39.92 89.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.127 -0.983 . . . . 0.0 109.154 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.52 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.062 -1.024 . . . . 0.0 109.005 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.7 ttm -60.0 -48.81 80.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.433 -0.792 . . . . 0.0 109.762 -179.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -61.33 -45.47 94.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.324 -0.86 . . . . 0.0 109.447 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.203 -0.936 . . . . 0.0 109.86 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -62.36 -42.33 99.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.637 -0.664 . . . . 0.0 110.669 -178.446 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -103.5 2.24 33.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.501 -0.749 . . . . 0.0 110.137 -178.663 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.7 m120 56.13 42.18 28.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.531 -0.731 . . . . 0.0 110.538 179.168 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.9 mt -111.9 150.23 42.03 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.7 Cg_endo -66.42 148.16 83.67 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 121.56 1.507 . . . . 0.0 111.269 -179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.01 -20.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.43 2.087 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.7 t -59.69 -50.22 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 110.449 -178.073 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.49 -42.13 83.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 120.896 -1.128 . . . . 0.0 109.11 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.39 74.44 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.561 -0.855 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.8 -39.83 95.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 110.375 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.81 -41.59 95.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.835 -1.166 . . . . 0.0 109.585 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.69 -40.25 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.015 -1.053 . . . . 0.0 108.534 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.19 -39.67 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.642 -0.661 . . . . 0.0 109.265 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.68 67.92 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.31 -0.869 . . . . 0.0 109.642 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.7 m -69.93 -37.29 75.84 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.72 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.8 t -73.58 110.97 8.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.958 . . . . 0.0 109.563 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.93 -40.26 88.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.29 -39.4 86.77 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.106 -0.996 . . . . 0.0 109.755 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.7 m -78.41 -21.25 49.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.237 -0.915 . . . . 0.0 110.077 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -77.05 -69.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.12 -0.987 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.8 107.98 9.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.125 -0.984 . . . . 0.0 109.37 -179.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -96.28 126.04 41.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.211 -0.931 . . . . 0.0 110.022 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 -11.51 40.0 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 49.16 86.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.242 . . . . 0.0 109.943 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.4 143.35 57.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 179.339 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.6 ttm -167.04 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.521 -0.737 . . . . 0.0 109.048 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -120.76 119.16 31.95 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.68 -76.69 1.19 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.088 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -155.14 160.86 41.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -1.145 . . . . 0.0 109.704 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.3 p -104.32 129.62 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.269 -0.894 . . . . 0.0 109.816 -179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.676 -179.953 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.09 -40.31 93.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.626 -0.671 . . . . 0.0 109.582 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.39 -41.77 98.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.301 -0.875 . . . . 0.0 110.439 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.62 92.25 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.64 -41.01 87.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.421 -1.047 . . . . 0.0 110.34 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.32 -52.02 67.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.966 -1.084 . . . . 0.0 110.28 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.44 -40.63 77.1 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.336 -0.852 . . . . 0.0 109.12 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.29 78.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.473 -0.767 . . . . 0.0 110.299 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.05 132.6 51.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.813 -1.179 . . . . 0.0 109.039 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -145.37 -164.9 2.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.118 -0.989 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.4 tt0 -72.91 146.94 45.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.979 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 65.0 t60 -66.25 70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 109.041 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 11' ' ' GLU . 3.9 tp10 -101.91 -151.63 0.42 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.422 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 49.8 mtpt -70.38 -28.81 65.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.92 -39.41 85.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 0.0 110.14 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -59.75 -40.03 86.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.782 -1.199 . . . . 0.0 108.683 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.594 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 65.0 p -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.978 -1.076 . . . . 0.0 109.177 179.599 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.594 ' N ' ' HG ' ' B' ' 17' ' ' SER . 30.2 m120 -95.21 85.49 4.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.043 . . . . 0.0 109.696 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -70.04 -27.1 64.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.266 -0.897 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.06 -40.38 89.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.852 -1.155 . . . . 0.0 109.189 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.17 87.23 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.117 -0.99 . . . . 0.0 109.192 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.2 -49.83 76.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 -179.329 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.14 -44.58 94.85 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -40.34 95.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.358 -0.839 . . . . 0.0 109.954 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 25' ' ' ASP . 56.1 t0 -62.54 -40.51 97.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 110.639 -178.632 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -105.1 2.67 29.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.395 -0.816 . . . . 0.0 109.844 -179.028 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.3 m120 55.29 42.62 30.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 0.0 110.379 178.883 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.34 150.91 43.28 Favored Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.405 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.1 Cg_endo -66.34 147.8 83.51 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.763 1.642 . . . . 0.0 111.253 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.02 -20.58 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.284 1.99 . . . . 0.0 112.638 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' B' ' 29' ' ' PRO . 71.6 t -59.41 -51.43 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.079 -1.013 . . . . 0.0 110.37 -178.273 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.46 -42.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.63 76.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.393 -0.817 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.04 -1.038 . . . . 0.0 109.815 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.95 -40.89 95.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.005 -1.059 . . . . 0.0 109.692 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 108.676 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.38 -39.21 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.419 -0.801 . . . . 0.0 109.393 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.51 68.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.3 m -70.54 -37.85 74.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.374 -0.829 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.64 111.15 7.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.005 -1.059 . . . . 0.0 109.219 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.22 -40.36 89.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.387 -0.82 . . . . 0.0 110.549 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.46 -40.33 86.55 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 109.86 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 86.1 m -78.42 -20.07 51.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 0.0 110.206 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -77.2 -69.53 0.52 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.099 -1.001 . . . . 0.0 110.727 -178.016 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.02 109.05 10.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.208 -0.932 . . . . 0.0 109.472 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -96.98 125.56 41.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.367 -0.833 . . . . 0.0 110.753 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.02 -11.86 33.42 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 51.47 87.29 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -1.183 . . . . 0.0 110.293 179.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.91 140.08 57.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.05 . . . . 0.0 109.199 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 50.2 ttm -164.12 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.444 -0.785 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -121.62 119.81 32.94 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.323 -0.861 . . . . 0.0 109.798 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.72 -77.5 1.2 Allowed Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -154.08 159.29 41.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.194 -1.18 . . . . 0.0 109.659 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.78 131.88 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 O-C-N 121.328 -0.857 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.178 -0.951 . . . . 0.0 110.086 -179.443 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.175 0.512 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.27 -40.27 93.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.343 -0.848 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.15 -45.36 88.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 110.019 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.1 -38.73 94.79 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.411 HD11 HG22 ' A' ' 5' ' ' ILE . 74.7 mt -64.75 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.433 -1.04 . . . . 0.0 110.28 -179.658 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.11 -48.93 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.948 -1.095 . . . . 0.0 109.857 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.68 -40.06 80.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.114 -0.991 . . . . 0.0 109.125 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -30.22 67.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.664 -0.648 . . . . 0.0 110.261 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -62.55 135.37 57.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 109.573 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -159.4 162.73 35.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.646 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 13' ' ' GLU . 39.8 tt0 -46.53 156.45 0.18 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.262 -0.899 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.3 t60 -65.19 66.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 11' ' ' GLU . 56.3 tt0 -80.46 176.35 9.86 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.691 -0.631 . . . . 0.0 109.82 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 97.2 mttt -62.64 -26.72 68.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 0.0 109.189 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -58.09 -30.33 66.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -59.93 -40.77 90.06 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.641 -1.287 . . . . 0.0 109.236 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -61.58 -41.24 97.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.984 -1.072 . . . . 0.0 108.582 179.397 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -93.0 81.19 4.57 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -69.93 -25.69 63.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 109.715 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -60.07 -41.02 91.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.816 -178.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.32 99.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.127 -0.983 . . . . 0.0 109.335 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -64.77 -41.25 96.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.73 -40.18 94.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.271 -0.893 . . . . 0.0 109.147 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 t -69.07 -39.95 78.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.533 -0.73 . . . . 0.0 109.943 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.74 -39.93 93.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.505 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -100.1 0.4 40.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.0 109.888 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.8 m120 52.32 46.96 25.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.17 -0.956 . . . . 0.0 110.259 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.75 151.37 44.6 Favored Pre-proline 0 N--CA 1.499 1.997 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.262 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.9 Cg_endo -70.2 149.54 64.25 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 121.524 1.483 . . . . 0.0 110.835 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.74 -20.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.84 1.693 . . . . 0.0 112.364 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' PRO . 97.7 t -56.48 -58.63 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.838 -1.164 . . . . 0.0 110.634 -178.835 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.64 -42.16 94.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.144 -0.973 . . . . 0.0 109.173 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.61 95.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.833 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.18 -40.03 95.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 109.638 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 2.8 tm-20 -60.94 -40.53 93.6 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.2 -39.98 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.042 . . . . 0.0 109.122 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.04 -39.89 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.63 69.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.578 -0.701 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 75.6 m -70.35 -39.54 74.59 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.215 -0.928 . . . . 0.0 109.156 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -76.11 109.45 9.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.911 . . . . 0.0 109.376 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.68 -39.88 90.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.426 -0.796 . . . . 0.0 111.089 -179.741 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.43 -39.87 84.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.983 -1.073 . . . . 0.0 109.274 -178.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 72.6 m -76.92 -34.52 57.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 0.0 110.121 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.602 HE21 ' HG3' ' B' ' 44' ' ' GLN . 58.0 tt0 -79.81 -71.39 0.45 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.162 -0.961 . . . . 0.0 111.694 -177.681 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.32 130.63 41.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.129 -0.982 . . . . 0.0 110.286 -178.196 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.01 145.01 26.21 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.009 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 171.74 48.78 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 60.32 23.22 12.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.388 -1.066 . . . . 0.0 109.537 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.93 84.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.806 -1.184 . . . . 0.0 109.01 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.5 mtt -92.57 151.19 20.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.3 m80 66.65 -166.95 0.21 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.592 0.71 . . . . 0.0 110.307 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.72 -155.57 26.3 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -70.21 140.29 52.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -1.126 . . . . 0.0 109.55 179.927 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.33 1.9 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.189 -0.944 . . . . 0.0 110.293 -179.239 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.297 -1.716 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.241 -179.921 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.3 0.572 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.17 -40.59 94.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 0.0 110.236 -179.404 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.05 -45.44 88.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.149 -0.97 . . . . 0.0 110.005 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -38.94 94.84 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.43 HG22 HD11 ' B' ' 5' ' ' ILE . 74.4 mt -64.84 -40.18 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.452 -1.028 . . . . 0.0 110.49 -179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.03 -49.23 78.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.027 -1.046 . . . . 0.0 109.87 -179.044 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.37 -40.16 81.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.7 -30.09 67.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.671 -0.643 . . . . 0.0 110.434 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -62.56 135.39 57.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.065 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -159.25 163.06 36.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.0 109.669 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.7 tt0 -47.18 156.38 0.24 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.114 -0.991 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.2 t60 -65.01 66.65 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.203 -0.936 . . . . 0.0 109.62 -179.231 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.7 tt0 -80.58 176.44 9.79 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.343 0.592 . . . . 0.0 109.781 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.437 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 97.7 mttt -62.79 -26.65 68.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.849 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -58.31 -30.11 66.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 0.0 109.981 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -59.99 -40.82 90.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.636 -1.29 . . . . 0.0 109.195 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.54 -41.16 96.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.869 -1.144 . . . . 0.0 108.658 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -92.97 80.75 4.58 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.77 -25.66 63.91 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.616 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -60.03 -40.8 90.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.162 -0.961 . . . . 0.0 110.021 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.272 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 54.4 ttp -64.9 -41.1 95.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 0.0 109.743 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.166 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -69.47 -40.02 77.37 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.49 -40.09 93.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.0 109.569 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -99.93 0.33 40.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.295 -0.878 . . . . 0.0 109.874 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 52.35 46.96 25.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.249 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -113.75 151.32 44.56 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.8 Cg_endo -70.18 149.55 64.37 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 121.571 1.514 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -40.6 -20.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.964 1.776 . . . . 0.0 112.413 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 29' ' ' PRO . 89.5 t -56.24 -58.75 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 110.726 -178.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.58 -42.12 94.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.168 -0.958 . . . . 0.0 109.165 -179.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.61 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.288 -0.883 . . . . 0.0 109.923 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.23 -39.94 95.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.612 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.418 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 2.8 tm-20 -61.19 -40.32 93.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.136 -0.978 . . . . 0.0 110.191 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.17 -40.15 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.017 -1.052 . . . . 0.0 109.004 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.0 -39.85 86.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.55 -30.65 69.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.576 -0.702 . . . . 0.0 109.521 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.418 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 74.7 m -70.32 -39.49 74.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -0.955 . . . . 0.0 109.219 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.28 109.48 10.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.267 -0.896 . . . . 0.0 109.402 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.64 -39.91 90.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.776 . . . . 0.0 110.976 -179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.47 -39.93 85.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.932 -1.105 . . . . 0.0 109.317 -178.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 70.9 m -76.74 -34.46 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 110.21 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.602 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.0 tt0 -79.92 -71.11 0.47 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 111.823 -177.724 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.66 130.74 41.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.115 -0.991 . . . . 0.0 110.235 -178.233 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.27 145.0 26.09 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.131 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.3 172.17 47.96 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 60.16 23.07 12.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -1.092 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.4 85.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.831 -1.168 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.4 mtt -92.2 151.16 20.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.411 -0.806 . . . . 0.0 109.767 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m80 66.81 -167.31 0.21 Allowed 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.547 0.689 . . . . 0.0 110.296 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.28 -155.59 26.36 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.496 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 0.9 OUTLIER -70.32 140.3 52.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.126 -1.22 . . . . 0.0 109.414 179.854 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.39 2.22 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 110.249 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.298 -1.658 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.126 -179.84 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.29 0.566 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.26 -40.47 90.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.189 -0.944 . . . . 0.0 110.8 -179.373 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.72 -43.5 97.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.108 -0.995 . . . . 0.0 110.357 -178.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -33.74 88.08 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.32 -39.77 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.469 -1.018 . . . . 0.0 110.321 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -60.54 -50.2 74.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.711 -1.243 . . . . 0.0 109.879 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.2 -40.82 94.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.637 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.07 68.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.57 -0.706 . . . . 0.0 110.354 -179.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.14 138.8 58.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.243 -0.911 . . . . 0.0 110.489 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.93 -178.6 4.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.439 -0.788 . . . . 0.0 109.741 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 64.8 mm-40 -61.72 150.68 36.03 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.342 -0.849 . . . . 0.0 108.855 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 72.1 t60 -65.96 77.64 0.08 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.9 mm-40 -96.02 -164.8 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.647 0.737 . . . . 0.0 109.838 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.38 -27.59 65.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.691 -0.631 . . . . 0.0 109.847 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -59.77 -32.46 70.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 109.609 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.34 -39.7 88.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.953 -1.092 . . . . 0.0 109.07 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.503 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 60.2 p -61.8 -42.15 98.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.591 179.779 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.503 ' N ' ' HG ' ' A' ' 17' ' ' SER . 32.8 m120 -93.44 89.51 6.34 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.139 -0.975 . . . . 0.0 109.325 179.896 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -70.53 -28.35 64.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.065 -1.022 . . . . 0.0 109.862 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.178 -0.951 . . . . 0.0 109.785 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.07 93.71 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.228 -0.92 . . . . 0.0 109.774 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 110.191 -179.256 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.24 -42.4 99.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.128 -0.983 . . . . 0.0 109.856 -179.332 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -69.09 -40.06 78.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.402 -0.811 . . . . 0.0 109.949 -179.672 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.34 -40.54 91.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.897 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -106.11 1.45 26.3 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.698 -0.626 . . . . 0.0 110.245 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.1 m120 54.21 44.92 28.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.213 -0.93 . . . . 0.0 110.539 179.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.5 mt -113.49 150.88 43.91 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.8 Cg_endo -67.55 149.38 79.69 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.748 1.632 . . . . 0.0 111.482 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.81 -21.15 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.271 1.981 . . . . 0.0 112.82 -179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.4 t -59.06 -54.22 37.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 120.971 -1.081 . . . . 0.0 110.65 -178.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.19 -42.05 90.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.791 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.96 81.56 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.388 -0.82 . . . . 0.0 109.938 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.986 -1.071 . . . . 0.0 110.007 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.1 -41.04 91.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.89 -1.131 . . . . 0.0 109.19 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.79 -40.53 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.801 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.08 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.53 -30.03 68.74 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.733 -0.605 . . . . 0.0 109.46 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -71.31 -39.09 71.65 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.321 -0.862 . . . . 0.0 109.165 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.5 t -73.71 111.68 9.08 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.284 -0.885 . . . . 0.0 109.01 178.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.81 -40.19 91.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 110.274 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.73 -39.92 86.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.425 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 62.1 m -76.49 -32.35 58.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.888 -1.132 . . . . 0.0 109.819 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.446 HE21 ' HG3' ' B' ' 44' ' ' GLN . 50.2 tt0 -74.44 -75.53 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.342 -0.848 . . . . 0.0 110.486 -178.333 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.88 132.76 43.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.256 -0.903 . . . . 0.0 109.666 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -89.04 -18.59 27.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.276 -0.89 . . . . 0.0 109.067 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.42 152.39 6.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -88.78 131.76 34.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.238 -1.154 . . . . 0.0 109.291 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.93 154.39 20.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -159.15 -1.25 0.08 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.035 -1.041 . . . . 0.0 110.346 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -132.99 136.82 46.28 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.394 -0.816 . . . . 0.0 109.493 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.55 -116.31 0.37 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -74.09 152.08 40.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.076 -1.249 . . . . 0.0 109.539 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.7 p -92.42 6.12 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 121.727 0.775 . . . . 0.0 109.223 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.361 179.495 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.421 0.629 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.43 -41.0 96.5 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.472 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.07 -42.79 95.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 110.753 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -34.02 88.79 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.24 -40.45 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -1.083 . . . . 0.0 110.19 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.39 -49.52 77.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.591 -1.318 . . . . 0.0 109.895 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.57 -40.51 92.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 0.0 109.854 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.71 66.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.656 -0.653 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.56 138.12 57.84 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.218 -0.926 . . . . 0.0 109.97 -178.657 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.8 -177.03 4.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.0 109.692 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 13' ' ' GLU . 67.3 mm-40 -62.33 150.07 40.46 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.288 -0.882 . . . . 0.0 109.325 -179.842 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 71.6 t60 -65.83 77.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.3 mm-40 -97.22 -165.42 1.26 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.513 -0.742 . . . . 0.0 109.656 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.08 -27.86 65.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.593 -0.692 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -58.33 -33.83 69.94 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.0 109.168 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -59.31 -40.81 87.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.675 -1.266 . . . . 0.0 108.589 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.437 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 59.7 p -59.87 -43.98 94.41 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.911 -1.118 . . . . 0.0 109.884 179.788 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.437 ' N ' ' HG ' ' B' ' 17' ' ' SER . 32.7 m120 -93.31 92.07 7.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.938 -1.101 . . . . 0.0 109.599 -179.879 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -72.01 -26.81 62.37 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 110.13 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.07 -39.54 90.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.11 -0.994 . . . . 0.0 109.435 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.58 96.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.105 -0.997 . . . . 0.0 109.707 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.6 ttm -62.62 -43.66 98.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.882 . . . . 0.0 110.042 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.59 -42.02 99.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.983 . . . . 0.0 109.732 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -68.92 -39.7 79.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.591 -0.693 . . . . 0.0 110.01 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.45 -40.97 96.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.139 -0.976 . . . . 0.0 109.684 -178.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.03 2.85 29.93 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.581 -0.699 . . . . 0.0 110.177 -179.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.2 m120 52.89 46.2 27.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.149 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 63.1 mt -115.81 150.23 44.54 Favored Pre-proline 0 N--CA 1.502 2.147 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.042 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.6 Cg_endo -66.8 146.73 79.34 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.746 1.631 . . . . 0.0 111.806 -179.574 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -39.74 -21.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.252 1.968 . . . . 0.0 112.356 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.8 t -58.07 -55.6 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.164 -0.96 . . . . 0.0 110.076 -178.411 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.45 -41.6 91.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.021 -1.049 . . . . 0.0 109.221 -179.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.41 86.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.046 -1.034 . . . . 0.0 109.758 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.5 -39.33 91.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.888 -1.132 . . . . 0.0 110.106 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.71 -40.88 93.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.114 . . . . 0.0 108.988 -179.437 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.42 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.198 -0.939 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.54 -40.21 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.367 -0.833 . . . . 0.0 108.757 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.23 69.0 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.722 -0.612 . . . . 0.0 109.523 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -71.73 -39.68 69.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.455 -0.778 . . . . 0.0 109.36 -179.302 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.66 111.24 8.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.108 -0.995 . . . . 0.0 108.445 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -60.0 -39.82 87.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.343 -0.848 . . . . 0.0 110.495 -179.299 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.07 -39.63 86.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 110.303 -178.044 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.53 -32.53 58.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.025 -1.047 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.446 ' HG3' HE21 ' A' ' 44' ' ' GLN . 9.9 tt0 -75.36 -75.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.518 -0.739 . . . . 0.0 110.439 -178.337 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 70.7 mt -72.61 133.38 44.66 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.097 -1.002 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.4 -20.37 24.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.462 -0.774 . . . . 0.0 109.293 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.41 151.21 6.06 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -87.58 129.33 35.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -1.211 . . . . 0.0 109.055 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.24 156.82 20.8 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.851 . . . . 0.0 108.828 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -162.13 4.37 0.05 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 109.696 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -137.63 139.2 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.07 -116.99 0.43 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 179.233 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.88 153.46 41.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.133 -1.216 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.8 p -95.31 6.41 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.234 -0.916 . . . . 0.0 109.144 -179.599 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.378 179.84 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.21 -41.54 98.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.42 -0.8 . . . . 0.0 110.593 -179.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.37 -41.83 96.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.114 -0.991 . . . . 0.0 110.082 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -36.56 93.58 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.406 ' O ' ' N ' ' A' ' 9' ' ' GLN . 74.7 mt -68.01 -40.12 82.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.586 -0.949 . . . . 0.0 110.299 -179.84 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -59.79 -45.89 90.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.052 -1.03 . . . . 0.0 109.699 -179.155 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.72 -40.88 75.96 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.054 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.479 -0.763 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.4 tt0 -62.27 138.84 58.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.995 -1.066 . . . . 0.0 109.693 -178.26 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -165.0 -175.09 3.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.011 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.69 159.73 15.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.11 -0.994 . . . . 0.0 109.614 -179.731 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 74.3 t60 -71.74 86.85 0.95 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.1 -179.354 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -101.13 -166.64 1.33 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.397 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -70.26 -25.81 63.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.377 -0.827 . . . . 0.0 108.849 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.96 -34.41 73.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.643 -0.661 . . . . 0.0 109.866 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -58.82 -39.12 80.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.885 -1.135 . . . . 0.0 108.985 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.516 ' HG ' ' N ' ' A' ' 18' ' ' ASN . 85.8 p -60.37 -43.79 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.858 -1.151 . . . . 0.0 109.705 179.701 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.516 ' N ' ' HG ' ' A' ' 17' ' ' SER . 29.8 m120 -94.49 90.84 6.35 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.022 -1.049 . . . . 0.0 109.261 179.706 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -71.4 -22.82 61.81 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.697 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -63.64 -39.82 95.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.164 -178.93 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.11 94.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 ttm -62.46 -45.83 91.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.786 -179.617 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.47 -41.86 98.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 109.587 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -65.61 -40.37 92.54 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.138 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -64.24 -40.12 95.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 110.881 -179.183 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.29 1.43 38.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.25 -0.906 . . . . 0.0 110.319 -179.263 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.48 49.06 20.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.4 mt -117.68 152.58 49.97 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.643 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 150.91 68.73 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.04 1.827 . . . . 0.0 111.488 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -44.25 -20.65 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.88 1.72 . . . . 0.0 112.402 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.06 -50.19 81.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.67 -44.42 82.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 120.773 -1.204 . . . . 0.0 109.314 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.42 96.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.258 -0.901 . . . . 0.0 109.948 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -65.29 -40.21 93.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.953 -1.092 . . . . 0.0 109.804 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.16 -41.46 96.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.899 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.96 -40.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.996 -1.065 . . . . 0.0 109.563 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.84 -39.83 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.202 -0.936 . . . . 0.0 108.88 179.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -27.8 67.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.915 -179.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -72.6 -36.96 68.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.082 -1.011 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -72.81 114.9 11.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.0 109.135 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.32 -40.09 92.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.297 -0.877 . . . . 0.0 110.668 -179.525 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.54 -40.33 86.86 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 110.011 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.466 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 33.9 m -78.07 -34.17 50.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.09 -1.006 . . . . 0.0 110.431 -179.398 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -79.95 -69.89 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.363 -0.835 . . . . 0.0 111.366 -178.042 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.37 131.77 43.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.121 -0.987 . . . . 0.0 109.883 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -86.44 154.1 21.4 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.5 -59.63 10.19 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.43 151.11 25.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -1.127 . . . . 0.0 108.573 179.425 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.89 -135.46 0.08 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.926 -1.109 . . . . 0.0 109.561 -179.39 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ttt -65.01 135.54 55.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 110.332 -179.368 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -129.83 119.11 22.81 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.774 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.14 143.9 25.53 Favored Glycine 0 N--CA 1.492 2.389 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.638 -178.921 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -98.2 138.46 35.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.488 -1.007 . . . . 0.0 108.971 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.2 m -102.37 138.62 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.445 -0.785 . . . . 0.0 110.098 -179.925 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.535 -179.92 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.09 -40.54 94.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.5 -0.75 . . . . 0.0 110.605 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -66.08 -41.31 90.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 -179.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -35.45 92.02 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.3 -39.96 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.462 -1.023 . . . . 0.0 110.264 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -60.07 -45.41 92.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.181 -0.949 . . . . 0.0 109.75 -179.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -69.83 -40.82 75.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.806 -1.184 . . . . 0.0 108.928 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.62 -37.02 73.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.447 -0.783 . . . . 0.0 110.774 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.86 139.44 58.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.55 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -166.01 -175.07 3.22 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.39 -0.819 . . . . 0.0 108.85 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 158.16 23.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.18 -0.95 . . . . 0.0 109.778 -179.706 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 72.8 t60 -71.09 84.92 0.72 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.269 -0.894 . . . . 0.0 110.317 -178.768 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -99.66 -165.57 1.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.457 -0.777 . . . . 0.0 109.511 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -70.84 -26.38 63.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.367 -0.833 . . . . 0.0 109.373 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -58.99 -33.58 70.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.261 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -59.65 -38.28 81.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 108.993 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.483 ' HG ' ' N ' ' B' ' 18' ' ' ASN . 93.1 p -61.4 -43.46 98.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.954 -1.091 . . . . 0.0 109.534 179.59 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . 0.483 ' N ' ' HG ' ' B' ' 17' ' ' SER . 26.0 m120 -94.48 88.56 5.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.442 179.58 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -69.91 -23.99 63.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.994 -1.066 . . . . 0.0 109.773 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -62.35 -40.14 95.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.995 -1.066 . . . . 0.0 110.082 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.24 91.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.962 -1.086 . . . . 0.0 109.528 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.7 ttm -63.58 -45.2 91.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.659 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.19 -42.47 99.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.523 -179.603 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.2 m -65.6 -40.33 92.55 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.528 -0.732 . . . . 0.0 110.458 -179.197 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 110.495 -178.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -101.18 0.72 38.12 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.334 -0.854 . . . . 0.0 110.423 -178.979 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.9 m120 54.07 49.65 18.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.259 -0.901 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.7 152.16 50.97 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.64 151.06 75.12 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.865 1.71 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -44.81 -20.08 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.794 1.662 . . . . 0.0 112.392 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -59.32 -50.54 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.763 -1.211 . . . . 0.0 110.636 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.78 -44.47 85.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.449 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.75 96.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.83 -40.14 95.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 109.654 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.78 -41.09 97.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.095 -1.003 . . . . 0.0 110.06 -179.582 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 HG22 ' B' ' 36' ' ' ILE . 91.5 mt -64.29 -40.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.14 -0.975 . . . . 0.0 109.389 -179.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.12 -39.8 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 108.927 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -26.56 65.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.496 -0.753 . . . . 0.0 109.738 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -74.33 -34.63 63.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 0.0 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.54 113.73 13.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.92 -1.113 . . . . 0.0 108.95 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.99 -39.7 90.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.243 -0.911 . . . . 0.0 110.528 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.033 -1.042 . . . . 0.0 109.748 -179.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 34.6 m -77.74 -35.4 51.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 110.181 -179.243 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.61 -70.17 0.53 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.432 -0.793 . . . . 0.0 111.497 -178.151 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.03 130.68 41.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.061 -1.024 . . . . 0.0 109.743 -178.474 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -86.12 152.57 22.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.468 -0.77 . . . . 0.0 108.938 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.76 -61.91 6.6 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -81.15 152.44 27.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -1.168 . . . . 0.0 108.435 179.238 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.78 -131.14 0.06 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.729 -1.232 . . . . 0.0 109.987 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.41 136.03 51.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -129.95 119.03 22.56 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.061 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.14 142.09 23.84 Favored Glycine 0 N--CA 1.491 2.301 0 C-N-CA 120.135 -1.031 . . . . 0.0 110.856 -179.175 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -96.66 139.03 33.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.513 -0.992 . . . . 0.0 108.797 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.69 137.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.469 -0.769 . . . . 0.0 109.965 -179.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.386 179.863 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 32.5 m-85 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.499 0.666 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.98 -40.33 93.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.579 -0.701 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.45 -41.14 96.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.755 -178.561 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -33.48 86.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.415 HD11 HG22 ' A' ' 5' ' ' ILE . 70.8 mt -68.59 -40.43 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.247 -1.149 . . . . 0.0 110.48 -179.462 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.76 -47.4 85.82 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.262 -178.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.53 -40.8 76.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 109.663 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -28.46 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 -179.395 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.24 138.69 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.369 -0.832 . . . . 0.0 109.588 -178.363 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -164.66 165.67 20.73 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 108.835 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 11' ' ' GLU . 56.0 mp0 -58.49 161.97 4.12 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.127 -0.983 . . . . 0.0 109.168 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -69.47 70.46 0.28 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.192 -0.942 . . . . 0.0 109.219 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.1 mm-40 -88.98 -161.01 0.72 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.583 0.706 . . . . 0.0 109.673 -179.577 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -70.02 -28.42 65.47 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.561 -0.712 . . . . 0.0 109.398 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -59.95 -36.42 77.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.831 . . . . 0.0 109.869 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -60.11 -40.19 88.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.91 -1.119 . . . . 0.0 109.919 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -60.94 -41.64 96.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.585 -1.322 . . . . 0.0 109.533 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -95.45 87.58 4.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.124 -0.985 . . . . 0.0 109.007 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 p-90 -70.12 -28.45 65.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -60.92 -39.45 89.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.935 -1.103 . . . . 0.0 109.492 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.36 90.99 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 109.531 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.0 ttm -59.76 -46.24 89.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.867 . . . . 0.0 110.168 -179.544 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.19 -41.34 99.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.151 -0.968 . . . . 0.0 109.808 -179.509 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -69.19 -39.87 78.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 109.808 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.58 -40.62 92.41 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.391 -0.818 . . . . 0.0 110.115 -178.644 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -103.85 4.17 34.65 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.31 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 55.47 45.72 24.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.498 -0.752 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.0 mt -118.68 150.18 47.77 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.705 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' VAL . 36.8 Cg_endo -65.68 148.97 87.49 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.474 1.45 . . . . 0.0 111.289 -179.794 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.41 -20.56 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.585 2.19 . . . . 0.0 112.942 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 95.2 t -59.67 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.017 -1.052 . . . . 0.0 110.998 -177.934 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.99 -42.89 89.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 119.096 -1.042 . . . . 0.0 109.412 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.12 -45.33 92.5 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.421 -0.8 . . . . 0.0 109.892 -179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.79 -40.28 96.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.947 -1.095 . . . . 0.0 109.72 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.71 -41.59 95.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.113 -0.992 . . . . 0.0 109.748 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -66.11 -41.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.039 -1.038 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 78.2 t -63.53 -39.71 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.488 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -28.69 67.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.533 -0.73 . . . . 0.0 110.534 -179.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -74.99 -30.94 61.3 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.311 -0.868 . . . . 0.0 109.837 -178.647 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 t -74.28 118.24 17.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 108.965 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.87 -40.02 93.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.46 -0.775 . . . . 0.0 110.487 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.89 -39.73 86.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.209 -0.932 . . . . 0.0 110.048 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -72.31 -40.99 67.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.613 -0.679 . . . . 0.0 110.541 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -73.78 -77.7 0.11 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 110.58 -177.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.7 mt -75.21 129.99 38.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.324 -0.86 . . . . 0.0 109.689 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -93.87 123.98 37.58 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.485 -0.759 . . . . 0.0 109.502 179.2 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.97 -131.0 23.89 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.32 142.16 30.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.489 -1.007 . . . . 0.0 109.63 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.22 -77.44 0.4 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.146 -0.971 . . . . 0.0 110.316 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.0 mtt -79.44 153.63 29.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 0.0 110.368 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 55.75 46.02 23.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 179.37 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.23 -123.26 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -78.7 130.33 35.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -1.073 . . . . 0.0 109.265 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.2 m -93.49 145.13 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.988 -1.07 . . . . 0.0 109.381 -179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.501 2.105 0 O-C-N 121.034 -1.041 . . . . 0.0 109.663 -179.608 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 34.5 m-85 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.498 0.666 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.84 -40.28 92.24 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.335 -179.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.24 -39.8 95.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.462 -0.774 . . . . 0.0 111.036 -178.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 -32.77 84.24 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.416 HD11 HG22 ' B' ' 5' ' ' ILE . 73.4 mt -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -1.045 . . . . 0.0 110.329 -179.678 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.26 -48.46 81.65 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 109.476 -178.685 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.91 . . . . 0.0 109.556 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.72 65.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 110.062 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.99 139.72 56.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -178.559 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -165.72 167.08 17.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.447 -0.783 . . . . 0.0 109.258 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' B' ' 13' ' ' GLU . 49.8 mp0 -59.9 157.58 12.24 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.586 -179.44 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.2 t60 -65.23 71.31 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.347 -0.846 . . . . 0.0 109.107 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' GLU . 52.9 mm-40 -90.49 -161.39 0.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.411 -0.806 . . . . 0.0 109.81 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.08 -28.16 66.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.461 -0.774 . . . . 0.0 109.333 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.06 -36.45 77.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.313 -0.867 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -60.33 -40.27 90.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.745 -1.222 . . . . 0.0 109.805 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 p -60.33 -41.47 93.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 109.213 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.01 88.79 4.99 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.479 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -70.79 -27.66 64.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.199 -0.938 . . . . 0.0 110.736 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -61.61 -40.11 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.02 -1.05 . . . . 0.0 109.357 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.03 91.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.622 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.76 -47.52 85.36 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.27 -0.894 . . . . 0.0 109.874 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.45 -40.72 97.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.601 -179.322 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.5 t -69.52 -39.94 77.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.889 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.49 -40.03 89.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 -178.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.76 3.87 34.56 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 -179.133 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 55.84 45.87 23.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 72.7 mt -119.25 149.58 47.59 Favored Pre-proline 0 N--CA 1.498 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' VAL . 35.5 Cg_endo -66.13 149.85 85.43 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.633 1.555 . . . . 0.0 111.386 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.98 -20.77 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.736 2.291 . . . . 0.0 112.787 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 29' ' ' PRO . 99.2 t -59.52 -50.34 80.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.012 -1.055 . . . . 0.0 110.614 -177.87 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.43 -42.8 87.65 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.076 -1.015 . . . . 0.0 109.266 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.65 90.87 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.922 -179.747 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.23 -40.33 97.16 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.808 -1.182 . . . . 0.0 110.023 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -60.84 -40.43 92.81 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.051 -1.031 . . . . 0.0 109.878 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -67.42 -41.13 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.239 -0.913 . . . . 0.0 108.987 -179.507 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 90.3 t -64.07 -39.2 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.103 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.5 67.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.458 -0.776 . . . . 0.0 110.265 -179.222 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.1 m -74.7 -30.84 61.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.962 -1.086 . . . . 0.0 109.713 -179.126 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -74.83 117.54 16.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.897 -1.127 . . . . 0.0 109.145 179.864 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.91 -40.0 91.5 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.91 -38.52 82.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 0.0 110.466 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.01 -39.51 63.56 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.397 -0.814 . . . . 0.0 110.331 -178.84 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -75.19 -77.66 0.12 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.372 -0.83 . . . . 0.0 110.71 -177.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.8 mt -75.11 129.46 37.59 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.167 -0.958 . . . . 0.0 109.392 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -92.71 124.87 37.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.444 -0.785 . . . . 0.0 109.141 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.47 -128.86 14.43 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.83 142.44 29.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.93 . . . . 0.0 110.066 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.83 -78.33 0.39 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.246 -0.909 . . . . 0.0 110.411 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.0 mtt -79.67 153.13 29.55 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.285 -0.884 . . . . 0.0 110.411 -178.717 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 56.26 45.76 22.49 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.0 109.676 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.46 -120.8 0.01 OUTLIER Glycine 0 N--CA 1.496 2.685 0 C-N-CA 119.584 -1.293 . . . . 0.0 109.912 -179.653 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -79.37 132.6 36.46 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.065 -1.256 . . . . 0.0 109.135 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 m -95.33 143.9 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.277 -0.89 . . . . 0.0 109.507 -179.996 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.002 -1.061 . . . . 0.0 109.237 179.732 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 62.6 m-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.46 -39.84 95.54 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.22 -0.925 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.12 -43.39 87.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.387 -0.821 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.16 -35.51 92.18 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.374 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.26 -39.84 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.139 -1.212 . . . . 0.0 110.856 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.72 -45.14 93.06 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 109.06 -178.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.41 -40.57 77.25 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.022 -1.049 . . . . 0.0 110.268 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.04 66.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.416 -0.803 . . . . 0.0 110.575 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.32 140.33 58.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 108.908 -179.216 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -170.86 169.47 6.82 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.994 0.902 . . . . 0.0 110.269 -179.293 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.01 149.77 3.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.773 0.797 . . . . 0.0 110.608 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.8 81.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.671 0.748 . . . . 0.0 110.012 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -100.82 -163.0 0.98 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.544 -0.723 . . . . 0.0 109.543 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' O ' ' OG ' ' A' ' 17' ' ' SER . 71.7 mmtt -70.22 -25.32 63.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.422 -0.799 . . . . 0.0 109.435 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.685 -0.635 . . . . 0.0 109.562 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.25 -0.906 . . . . 0.0 108.808 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 89.3 p -60.81 -44.65 96.6 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.291 179.247 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -92.62 87.99 6.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.175 -0.953 . . . . 0.0 109.151 178.928 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -70.9 -27.95 64.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.27 -0.894 . . . . 0.0 109.714 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -41.12 90.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.924 . . . . 0.0 109.577 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.0 ttm -61.31 -48.71 80.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.345 -0.847 . . . . 0.0 110.284 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.13 -41.0 99.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -67.13 -40.03 86.73 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.007 -1.058 . . . . 0.0 109.428 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -61.9 -40.32 95.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 110.477 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -101.71 -2.77 29.47 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 110.134 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.2 m-20 54.27 48.43 20.8 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.0 110.733 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -119.05 146.12 39.64 Favored Pre-proline 0 N--CA 1.504 2.244 0 O-C-N 121.259 -0.901 . . . . 0.0 108.876 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' VAL . 75.2 Cg_exo -47.89 139.49 19.6 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.747 1.631 . . . . 0.0 111.262 178.408 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -42.16 -15.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.327 2.018 . . . . 0.0 111.516 179.097 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.6 t -60.01 -49.87 82.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.666 -0.647 . . . . 0.0 110.976 -177.827 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.97 -44.92 92.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.017 -1.052 . . . . 0.0 108.956 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.77 91.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 110.115 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.89 -39.86 95.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.813 -1.179 . . . . 0.0 110.672 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.703 -1.248 . . . . 0.0 109.63 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.85 -40.1 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.285 -0.884 . . . . 0.0 109.235 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.77 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.791 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.03 78.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.751 -0.593 . . . . 0.0 110.428 -179.368 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -71.88 -30.33 65.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.09 -1.006 . . . . 0.0 110.145 -178.311 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -72.93 111.64 8.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.209 -0.932 . . . . 0.0 108.566 179.637 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.11 -40.35 89.39 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.071 -1.018 . . . . 0.0 110.769 -178.819 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -59.64 -39.47 84.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.453 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.07 -39.84 60.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.022 . . . . 0.0 110.115 -178.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.506 HE21 ' CG ' ' B' ' 44' ' ' GLN . 37.7 tt0 -79.81 -70.02 0.54 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.581 -0.699 . . . . 0.0 111.095 -177.679 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.58 148.76 50.04 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.174 -1.011 . . . . 0.0 110.478 -178.167 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.48 173.9 8.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.648 -0.657 . . . . 0.0 110.092 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.14 -91.86 0.01 OUTLIER Glycine 0 N--CA 1.496 2.646 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.713 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -113.28 29.86 7.66 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.058 -1.26 . . . . 0.0 111.266 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.11 -149.9 0.24 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.837 -1.164 . . . . 0.0 110.051 179.137 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.0 tpp -86.55 130.14 34.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.124 -179.257 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -159.27 114.95 2.53 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.9 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.35 176.41 48.36 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -89.79 121.25 31.76 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.504 -0.998 . . . . 0.0 109.021 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.2 p -105.23 9.51 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 CA-C-O 122.004 0.907 . . . . 0.0 109.042 -179.775 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.982 -1.074 . . . . 0.0 109.682 -179.526 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 61.9 m-85 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.21 -40.54 96.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.339 -0.851 . . . . 0.0 110.317 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -65.47 -40.51 93.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.326 -179.111 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.72 -34.17 86.56 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.05 -39.83 82.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.819 -0.813 . . . . 0.0 110.993 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.92 -45.58 92.12 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.786 -1.196 . . . . 0.0 109.1 -178.48 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.77 -40.38 76.11 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.82 68.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.146 -0.971 . . . . 0.0 110.35 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.14 140.42 57.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -170.16 169.27 7.95 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 109.986 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.1 152.4 2.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.324 -0.86 . . . . 0.0 110.634 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -67.07 80.37 0.12 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -99.92 -162.72 0.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' B' ' 17' ' ' SER . 71.8 mmtt -70.37 -26.96 63.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 0.0 109.378 -179.614 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.38 -37.11 77.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 -179.404 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -60.04 -40.05 88.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.81 -1.182 . . . . 0.0 109.432 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 93.6 p -60.95 -41.33 96.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.783 -1.198 . . . . 0.0 108.736 179.856 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -96.3 85.43 3.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.554 -0.716 . . . . 0.0 109.403 179.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -69.93 -26.6 64.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.153 -0.967 . . . . 0.0 110.635 -179.691 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.86 92.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.012 -1.055 . . . . 0.0 110.334 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.15 92.59 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.849 -1.157 . . . . 0.0 109.451 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.4 ttm -60.13 -47.32 86.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.035 -1.041 . . . . 0.0 110.105 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.62 -41.1 98.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.419 -0.8 . . . . 0.0 109.582 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -68.47 -39.45 81.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.281 -0.887 . . . . 0.0 109.363 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.24 -40.35 95.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 110.09 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.69 -3.85 27.52 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.382 -0.823 . . . . 0.0 110.153 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 2.2 m-20 55.99 48.66 17.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.62 145.61 39.53 Favored Pre-proline 0 N--CA 1.501 2.087 0 O-C-N 121.359 -0.838 . . . . 0.0 109.072 179.177 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 31' ' ' VAL . 72.9 Cg_exo -47.82 139.29 19.51 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.619 1.546 . . . . 0.0 111.701 178.454 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.61 -17.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.28 1.987 . . . . 0.0 111.744 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 29' ' ' PRO . 59.2 t -58.99 -49.33 83.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.664 -0.648 . . . . 0.0 110.749 -178.322 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.87 -43.12 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.009 -1.057 . . . . 0.0 109.428 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.54 -45.3 87.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.444 -0.785 . . . . 0.0 109.802 179.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.06 -40.03 96.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.025 -1.047 . . . . 0.0 110.338 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -61.09 -40.44 93.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.836 -1.165 . . . . 0.0 109.417 -179.464 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.79 -40.68 88.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 109.171 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.35 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.62 70.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.704 -0.622 . . . . 0.0 110.223 -179.633 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -74.16 -30.3 62.19 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.695 -1.253 . . . . 0.0 109.708 -178.696 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.48 111.34 8.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 108.613 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.88 -40.48 88.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 110.17 -178.863 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.11 -40.24 89.01 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.044 -1.035 . . . . 0.0 110.131 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.6 m -74.28 -39.94 62.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.745 -1.222 . . . . 0.0 110.493 -179.253 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.506 ' CG ' HE21 ' A' ' 44' ' ' GLN . 21.8 tt0 -79.19 -69.86 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.835 . . . . 0.0 110.951 -177.592 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.79 145.23 52.32 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.018 0.913 . . . . 0.0 111.166 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' B' ' 47' ' ' GLY . 66.3 mttm -85.18 171.44 11.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.501 -0.75 . . . . 0.0 111.16 -179.619 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' B' ' 46' ' ' LYS . . . -35.76 -91.45 0.01 OUTLIER Glycine 0 N--CA 1.496 2.69 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.531 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -115.27 30.09 7.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.307 -1.113 . . . . 0.0 110.706 -178.9 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.04 -146.21 0.46 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.946 -1.096 . . . . 0.0 110.232 179.205 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 50.5 tpp -89.2 126.63 35.56 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.863 . . . . 0.0 109.828 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -155.16 117.27 4.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.08 -1.012 . . . . 0.0 108.859 178.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.29 177.23 47.3 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -179.864 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.52 122.71 34.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.005 -1.291 . . . . 0.0 109.14 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -105.4 8.68 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.228 -0.92 . . . . 0.0 108.819 -179.379 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.6 t0 . . . . . 0 C--N 1.3 -1.568 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.644 179.905 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.431 0.634 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.53 -40.13 90.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.2 -40.69 98.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.203 -0.936 . . . . 0.0 110.234 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.43 98.03 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -65.73 -40.07 86.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.79 -0.83 . . . . 0.0 110.41 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.01 -48.38 81.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.067 . . . . 0.0 110.039 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -68.97 -40.05 79.1 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.945 -1.097 . . . . 0.0 109.387 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.87 65.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.85 . . . . 0.0 109.61 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.84 139.65 58.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.0 109.265 -179.216 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 2.8 tp10 -168.75 -170.03 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 13.0 pt-20 -73.58 161.49 30.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.98 -1.075 . . . . 0.0 109.618 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.64 79.61 0.82 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 109.615 -179.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -101.53 -151.44 0.41 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.397 -0.815 . . . . 0.0 109.998 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.06 -34.11 72.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 109.828 -179.83 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.801 -179.126 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.22 -40.74 91.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.943 -1.098 . . . . 0.0 109.382 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -62.53 -45.38 93.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.985 -1.072 . . . . 0.0 108.94 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.77 88.63 4.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.384 -0.823 . . . . 0.0 109.311 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -69.94 -28.28 65.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.088 -1.008 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.117 -0.99 . . . . 0.0 109.301 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -61.79 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 0.0 110.15 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.31 99.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.028 -1.045 . . . . 0.0 110.095 -179.269 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -69.44 -39.95 77.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 110.147 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.86 -39.99 91.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.203 -0.936 . . . . 0.0 110.144 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.01 1.44 42.49 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.311 -0.868 . . . . 0.0 109.956 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.96 43.43 27.3 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.36 -0.837 . . . . 0.0 110.255 179.337 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.4 mt -116.12 152.38 47.7 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.77 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.5 Cg_endo -70.6 149.8 62.07 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.538 1.492 . . . . 0.0 111.058 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.65 -17.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.015 1.81 . . . . 0.0 112.067 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.2 t -59.87 -50.07 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.138 -0.976 . . . . 0.0 110.606 -178.324 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.53 -43.22 83.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.792 -1.193 . . . . 0.0 109.317 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.99 94.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.29 -40.0 92.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.019 -1.051 . . . . 0.0 110.182 179.626 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.15 -40.25 89.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.98 -1.075 . . . . 0.0 109.912 -179.31 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.7 -40.0 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.095 -1.003 . . . . 0.0 108.75 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.11 -40.03 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.04 76.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.47 -0.769 . . . . 0.0 109.472 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -73.67 -40.17 63.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 110.447 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.14 113.38 16.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.006 -1.059 . . . . 0.0 108.962 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.13 -39.98 88.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 0.0 110.476 -179.213 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.39 -39.94 89.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 110.427 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -75.18 -36.31 61.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.97 -1.081 . . . . 0.0 109.922 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.872 HE21 ' CG ' ' B' ' 44' ' ' GLN . 56.0 tt0 -79.56 -71.79 0.43 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.423 -0.798 . . . . 0.0 110.652 -178.25 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.42 136.54 44.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.897 . . . . 0.0 109.86 -178.922 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -89.01 -12.99 39.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.575 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 -7.29 62.76 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 55.0 tt0 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.963 -1.316 . . . . 0.0 109.226 -179.819 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . 47.36 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.398 -0.814 . . . . 0.0 109.626 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.9 -0.83 57.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 109.588 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 16.6 p-80 -59.51 -21.96 60.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.851 -1.156 . . . . 0.0 109.808 -179.279 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -48.27 -96.2 0.01 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -78.57 146.63 34.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.24 . . . . 0.0 109.045 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.2 122.68 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.533 -0.73 . . . . 0.0 109.158 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.563 -179.804 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.381 0.61 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.14 90.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 109.818 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.15 -40.71 98.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.285 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.4 98.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.69 -40.0 86.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.796 -0.826 . . . . 0.0 110.41 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.06 -48.44 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.057 . . . . 0.0 110.04 -179.106 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.02 -39.96 78.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.918 -1.114 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.05 -28.89 65.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.856 . . . . 0.0 109.685 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.79 139.54 58.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.247 -179.28 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.414 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 2.8 tp10 -168.65 -170.06 1.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 13.0 pt-20 -73.64 161.47 30.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.7 -179.678 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -71.58 79.48 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.655 -179.536 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -101.37 -151.44 0.41 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.336 -0.852 . . . . 0.0 109.976 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.98 -34.31 73.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.752 . . . . 0.0 109.849 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -59.93 -39.96 87.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 109.767 -179.112 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.36 -40.9 92.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.007 -1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.29 -45.48 93.06 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.945 -1.097 . . . . 0.0 108.992 179.586 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -98.81 88.77 4.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.425 -0.797 . . . . 0.0 109.257 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -70.0 -28.3 65.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.53 -39.97 89.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.029 -179.454 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -61.85 -43.46 98.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.14 -179.708 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.34 99.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.051 -1.031 . . . . 0.0 110.115 -179.284 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.2 t -69.35 -39.98 77.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.229 -0.919 . . . . 0.0 110.196 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.8 -40.07 91.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 110.142 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -99.99 1.42 42.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 -179.451 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 m120 55.89 43.56 27.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.442 -0.786 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -116.26 152.39 47.87 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.78 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.3 Cg_endo -70.59 149.75 62.08 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.574 1.516 . . . . 0.0 111.118 179.749 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.57 -17.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.124 1.882 . . . . 0.0 111.964 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 29' ' ' PRO . 58.7 t -60.03 -49.99 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.116 -0.99 . . . . 0.0 110.615 -178.224 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.56 -43.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 120.833 -1.167 . . . . 0.0 109.343 -179.783 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.98 94.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 109.605 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.35 -40.07 92.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.98 -1.075 . . . . 0.0 110.082 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.15 -40.17 88.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.037 -1.039 . . . . 0.0 110.013 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.63 -40.09 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.067 -1.02 . . . . 0.0 108.599 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.23 -39.95 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.474 -0.766 . . . . 0.0 108.965 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.27 -33.88 76.23 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.543 -0.723 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -73.77 -39.96 63.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.139 -0.976 . . . . 0.0 110.428 -179.174 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -78.17 113.25 15.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 0.0 108.958 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -60.08 -40.06 88.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.451 -179.277 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.31 -39.99 88.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.958 . . . . 0.0 110.384 -179.026 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.29 -36.15 61.2 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 109.94 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.872 ' CG ' HE21 ' A' ' 44' ' ' GLN . 6.9 tt0 -79.53 -71.91 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.395 -0.816 . . . . 0.0 110.696 -178.314 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.41 136.37 44.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.196 -0.94 . . . . 0.0 109.915 -178.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -88.74 -12.77 41.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 108.92 179.54 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.38 -7.08 61.97 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.014 -1.235 . . . . 0.0 110.014 179.571 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' B' ' 51' ' ' HIS . 54.4 tt0 -60.1 -40.47 89.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.311 . . . . 0.0 109.098 -179.77 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 48' ' ' GLU . . . 47.31 -175.02 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.474 -0.766 . . . . 0.0 109.605 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.9 ttt -91.0 -0.49 57.76 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.254 -0.904 . . . . 0.0 109.496 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' B' ' 48' ' ' GLU . 16.6 p-80 -59.86 -21.89 61.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.876 -1.14 . . . . 0.0 109.8 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . -48.32 -96.07 0.01 OUTLIER Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.787 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -78.59 147.16 33.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -1.187 . . . . 0.0 109.135 179.829 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.67 122.66 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.486 -0.759 . . . . 0.0 109.23 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.523 -179.662 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.588 0.708 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 mt -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.456 -0.778 . . . . 0.0 110.031 -179.313 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.25 -41.28 99.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.93 -1.106 . . . . 0.0 109.659 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.79 -38.08 95.63 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.13 -40.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.792 -0.828 . . . . 0.0 110.298 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -60.15 -46.12 90.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 110.217 -178.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -44.33 81.27 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.34 75.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.0 110.369 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.36 123.86 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 110.049 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.31 -164.92 2.13 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 154.78 41.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.932 -1.105 . . . . 0.0 108.985 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.9 t60 -63.3 82.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.91 . . . . 0.0 110.318 -178.606 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -91.33 -172.43 3.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.621 -0.674 . . . . 0.0 109.27 179.578 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.8 -26.63 65.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.469 -0.769 . . . . 0.0 109.129 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -59.59 -33.54 71.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.35 -0.844 . . . . 0.0 109.506 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.93 -40.42 88.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.065 -1.022 . . . . 0.0 109.013 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -60.05 -44.03 94.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.924 -1.11 . . . . 0.0 108.812 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.22 92.53 7.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.37 -27.3 64.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.193 -0.942 . . . . 0.0 110.011 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.02 -40.17 92.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.218 -0.926 . . . . 0.0 110.161 -179.054 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.6 ttm -63.31 -42.18 98.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.856 . . . . 0.0 109.564 -179.804 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.17 -43.67 94.41 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -68.52 -40.18 80.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.269 -0.895 . . . . 0.0 110.104 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.157 -0.964 . . . . 0.0 110.22 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -101.88 0.05 34.85 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.475 -0.765 . . . . 0.0 109.902 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' ALA . 96.9 m-20 54.61 47.34 22.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.143 179.639 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.2 mt -119.23 150.29 48.94 Favored Pre-proline 0 N--CA 1.5 2.064 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.22 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.65 160.77 48.05 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.769 1.646 . . . . 0.0 111.158 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.9 -19.76 8.87 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.479 2.119 . . . . 0.0 111.797 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.88 -50.53 79.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.987 -1.07 . . . . 0.0 110.38 -178.603 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.97 -46.83 78.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.99 98.34 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 110.123 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -63.69 -39.82 95.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.704 -1.247 . . . . 0.0 109.584 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -60.46 -41.58 94.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.987 -1.071 . . . . 0.0 109.833 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.23 -40.16 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 108.632 179.461 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -39.8 83.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.21 80.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.671 -0.643 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -71.93 -39.82 69.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.123 -0.985 . . . . 0.0 110.478 -178.604 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.1 114.06 13.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.885 -1.134 . . . . 0.0 108.288 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.14 -40.25 89.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.213 -178.7 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -60.0 -40.11 88.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.088 -1.007 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 11.7 m -79.72 -37.24 36.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.17 -59.11 3.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.35 -0.844 . . . . 0.0 111.378 -178.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -82.02 83.46 7.28 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.973 -1.079 . . . . 0.0 109.118 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -95.42 -22.6 17.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.346 -0.846 . . . . 0.0 110.156 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.9 176.11 54.01 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -85.57 125.39 33.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.399 -1.059 . . . . 0.0 108.674 179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.99 -73.09 0.53 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.085 -1.01 . . . . 0.0 109.676 -179.847 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -60.66 143.05 54.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -0.889 . . . . 0.0 109.789 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.703 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 34.9 t60 59.92 -160.63 0.29 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.703 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . 92.28 63.75 1.13 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.772 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 64.92 68.31 0.52 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.718 -0.872 . . . . 0.0 109.41 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.86 136.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.527 -0.733 . . . . 0.0 109.5 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.983 -179.858 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.645 0.736 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.5 mt -59.99 -40.43 89.15 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.558 -0.713 . . . . 0.0 110.078 -179.524 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.44 -40.53 97.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.83 -1.169 . . . . 0.0 109.68 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.9 95.15 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 179.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.1 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.723 -0.869 . . . . 0.0 110.726 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -60.43 -45.24 94.36 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.789 -1.194 . . . . 0.0 110.328 -178.55 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.5 -43.71 80.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.623 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.81 74.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.596 -0.69 . . . . 0.0 110.244 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.19 124.42 20.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.01 . . . . 0.0 109.88 -178.66 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -148.54 -165.03 2.16 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 155.79 40.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 108.874 179.512 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -64.43 81.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.331 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -90.58 -172.77 3.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.372 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -68.48 -27.44 66.15 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -58.95 -33.43 70.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.317 -0.865 . . . . 0.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -59.9 -40.33 88.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.891 -1.13 . . . . 0.0 109.058 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -59.99 -43.83 94.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.801 -1.187 . . . . 0.0 108.606 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.44 92.58 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.36 -26.68 63.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.902 -1.124 . . . . 0.0 110.093 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.78 -40.4 95.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 -179.034 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.6 89.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.002 -1.061 . . . . 0.0 109.761 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.3 ttm -62.86 -42.58 99.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 -179.869 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.58 -43.96 95.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.535 -0.728 . . . . 0.0 109.929 -179.539 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.5 t -69.0 -39.83 79.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.432 -0.793 . . . . 0.0 110.113 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -62.41 -40.0 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.736 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 -0.0 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.306 -0.871 . . . . 0.0 110.042 -179.801 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.1 m-20 55.04 47.09 22.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.346 -0.846 . . . . 0.0 110.09 179.568 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.1 mt -119.5 150.74 50.44 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.319 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.75 161.24 46.25 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 121.57 1.513 . . . . 0.0 111.069 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.24 -19.69 9.75 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.384 2.056 . . . . 0.0 111.63 -179.474 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.71 -50.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.819 -1.176 . . . . 0.0 110.308 -178.644 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.92 -45.71 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.011 -1.055 . . . . 0.0 109.509 -179.564 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.37 95.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -63.99 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.906 -1.121 . . . . 0.0 109.492 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.98 -41.97 93.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.016 . . . . 0.0 110.056 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.0 -40.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.116 -0.99 . . . . 0.0 108.638 179.447 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.06 -39.85 83.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.63 81.83 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.773 -0.579 . . . . 0.0 109.94 179.676 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -72.0 -40.16 68.73 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.085 -1.009 . . . . 0.0 110.411 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.8 113.57 12.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.721 -1.237 . . . . 0.0 108.319 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.05 -40.23 88.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.4 -0.813 . . . . 0.0 110.25 -178.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -60.29 -39.78 88.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.908 -1.12 . . . . 0.0 109.243 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 m -79.38 -38.36 35.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 110.07 179.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -67.3 -59.79 3.12 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.17 -0.956 . . . . 0.0 111.311 -177.926 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.24 84.53 6.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.926 -1.109 . . . . 0.0 109.115 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -96.22 -22.63 17.14 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.234 -0.916 . . . . 0.0 110.076 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.43 176.21 53.6 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -85.92 125.18 33.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.548 -0.972 . . . . 0.0 108.552 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.62 0.55 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.11 -0.994 . . . . 0.0 109.661 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -61.08 141.81 57.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.48 -0.763 . . . . 0.0 109.608 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . 0.708 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 31.8 t60 61.07 -159.97 0.31 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.703 -0.623 . . . . 0.0 109.557 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . 0.708 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 91.69 64.12 1.16 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 -179.771 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 64.6 68.22 0.54 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.939 . . . . 0.0 109.495 -179.54 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -93.74 135.94 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.411 -0.805 . . . . 0.0 109.7 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 118.048 -0.977 . . . . 0.0 108.962 -179.91 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.436 0.636 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.8 mt -59.85 -40.1 87.4 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.476 -0.765 . . . . 0.0 110.104 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.36 -40.39 95.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 110.398 -179.369 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.0 95.08 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.15 -39.32 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.742 -0.857 . . . . 0.0 110.032 179.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.074 -1.016 . . . . 0.0 110.368 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.05 -40.15 78.72 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.94 -1.1 . . . . 0.0 109.016 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.58 72.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.281 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.15 133.96 53.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 0.0 109.748 -179.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.85 -164.93 2.07 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.307 -0.871 . . . . 0.0 109.113 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -77.53 153.51 33.32 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.161 -0.962 . . . . 0.0 109.021 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -71.1 70.39 0.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.524 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.92 -150.97 0.41 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.628 -0.67 . . . . 0.0 109.313 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.06 -30.25 67.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.067 -1.021 . . . . 0.0 110.517 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -60.15 -38.39 83.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.896 -1.128 . . . . 0.0 109.95 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.931 -1.106 . . . . 0.0 109.365 -179.828 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -61.88 -42.55 99.2 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.185 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -96.24 83.64 3.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -69.92 -25.2 63.56 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 109.156 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.79 -40.15 91.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.105 -0.997 . . . . 0.0 110.087 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.78 93.08 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.097 -1.002 . . . . 0.0 109.098 179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.6 ttp -64.61 -40.75 96.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.477 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.16 94.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.196 -0.94 . . . . 0.0 109.104 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.5 m -68.75 -39.79 80.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.483 -0.761 . . . . 0.0 110.54 -179.532 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 110.499 -178.883 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -100.56 1.24 40.71 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.286 -0.884 . . . . 0.0 109.883 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 55.38 47.25 21.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.381 -0.824 . . . . 0.0 109.696 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.96 149.95 46.37 Favored Pre-proline 0 N--CA 1.498 1.94 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.32 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.2 Cg_endo -70.5 148.85 61.16 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.683 1.589 . . . . 0.0 111.561 179.742 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -38.85 -25.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.367 179.226 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 66.5 t -53.07 -57.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.653 -0.654 . . . . 0.0 110.505 -178.741 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.36 -42.15 94.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.21 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.13 92.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.143 -0.973 . . . . 0.0 109.741 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.49 -39.76 88.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 110.208 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.24 -40.84 91.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.176 . . . . 0.0 109.267 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.56 -41.33 89.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.11 -40.28 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.895 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.52 80.58 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.666 -0.646 . . . . 0.0 109.538 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -72.29 -37.44 68.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.258 -0.901 . . . . 0.0 109.446 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.79 110.64 8.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.884 -1.135 . . . . 0.0 108.836 179.64 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.95 -40.54 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 110.367 -179.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -60.44 -40.71 92.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.515 -0.741 . . . . 0.0 110.357 -178.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.6 m -76.81 -31.03 56.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.965 -1.085 . . . . 0.0 109.908 -179.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -75.13 -77.75 0.12 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.845 . . . . 0.0 109.964 -179.357 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 141.04 53.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.406 -0.809 . . . . 0.0 109.13 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -82.78 -9.39 59.37 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 -179.238 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.22 -131.61 1.53 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -87.62 -0.47 56.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.588 -0.948 . . . . 0.0 109.851 -179.504 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 71.07 -65.65 0.33 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.309 -0.869 . . . . 0.0 109.465 -179.821 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.9 ptm -80.86 148.05 30.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -0.952 . . . . 0.0 109.782 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -130.11 144.03 51.12 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.85 100.52 0.14 Allowed Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -93.02 12.76 22.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.504 -0.998 . . . . 0.0 109.575 -179.816 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -110.61 129.93 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.727 -0.608 . . . . 0.0 110.025 179.587 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.157 179.348 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.355 0.598 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.03 -40.37 89.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.474 -0.766 . . . . 0.0 109.851 -178.951 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -63.36 -41.06 98.8 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -0.879 . . . . 0.0 110.355 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.55 94.69 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' B' ' 9' ' ' GLN . 73.3 mt -64.37 -39.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.547 -0.972 . . . . 0.0 109.904 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.076 -1.015 . . . . 0.0 110.451 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -68.31 -40.58 81.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.038 . . . . 0.0 108.855 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -33.54 73.23 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.557 -0.714 . . . . 0.0 110.225 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' B' ' 5' ' ' ILE . 62.8 tt0 -64.26 133.96 53.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 109.816 -179.264 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.56 -165.0 2.07 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.202 -0.936 . . . . 0.0 109.085 179.689 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -77.08 156.93 31.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.327 -0.858 . . . . 0.0 109.058 179.595 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.05 69.98 1.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.511 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.62 -151.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.402 ' O ' ' OG ' ' B' ' 17' ' ' SER . 68.3 mttm -70.17 -30.28 67.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.01 -1.056 . . . . 0.0 110.473 -179.868 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -60.28 -38.3 83.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.072 -1.017 . . . . 0.0 109.776 -179.059 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -59.86 -40.37 88.38 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.08 -1.012 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 80.4 p -61.44 -41.75 97.68 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.992 -1.068 . . . . 0.0 108.408 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -97.14 83.2 3.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.384 -0.823 . . . . 0.0 108.866 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -69.82 -24.11 63.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.948 -1.095 . . . . 0.0 109.661 -179.643 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.79 -39.99 93.65 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.963 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.091 -1.006 . . . . 0.0 108.732 179.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.6 ttp -63.88 -40.29 96.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.051 -1.031 . . . . 0.0 109.439 179.8 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.78 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.123 -0.986 . . . . 0.0 109.168 179.592 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.24 -39.87 78.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 110.563 -179.666 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.72 -40.04 93.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.69 -178.637 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.25 1.57 41.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.237 -0.914 . . . . 0.0 109.878 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 55.96 45.35 24.04 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.861 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -116.06 150.07 44.49 Favored Pre-proline 0 N--CA 1.503 2.179 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.478 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.4 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.6 1.533 . . . . 0.0 111.614 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.94 -25.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.614 2.21 . . . . 0.0 111.968 179.583 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -52.85 -56.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 110.683 -178.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.03 -41.3 91.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.003 -1.061 . . . . 0.0 109.848 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -60.9 -39.23 88.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.947 -1.096 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -60.35 -41.49 93.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 109.216 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.79 -41.49 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.69 -40.35 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.624 0.726 . . . . 0.0 109.059 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.78 -38.98 80.41 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.673 0.749 . . . . 0.0 109.673 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 m -72.58 -37.62 68.11 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 109.68 -179.547 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.1 111.51 9.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.958 -1.089 . . . . 0.0 109.03 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -60.45 -39.99 89.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.511 -0.743 . . . . 0.0 110.522 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.99 -39.97 91.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.916 . . . . 0.0 110.565 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.3 m -76.88 -32.13 57.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.146 -0.971 . . . . 0.0 109.741 -179.349 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.1 tt0 -74.35 -77.81 0.11 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.346 -0.846 . . . . 0.0 109.984 -179.402 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.92 141.61 53.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 0.0 108.888 -179.676 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -82.96 -8.88 59.52 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.399 0.619 . . . . 0.0 109.358 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.97 -132.76 1.75 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' B' ' 50' ' ' MET . 55.0 mt-10 -86.67 0.61 54.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -1.206 . . . . 0.0 109.654 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 68.69 -64.71 0.3 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.677 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.412 ' N ' ' O ' ' B' ' 48' ' ' GLU . 22.2 ptm -80.77 147.72 30.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.259 -0.901 . . . . 0.0 109.725 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -130.38 141.8 50.54 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.62 102.41 0.16 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -94.7 11.16 32.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.25 -1.147 . . . . 0.0 109.462 -179.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -110.11 130.1 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.528 -0.732 . . . . 0.0 109.52 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.145 179.383 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.379 0.609 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.6 -39.93 92.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 0.0 110.387 -179.177 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.16 -40.51 94.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.062 -1.024 . . . . 0.0 110.628 -178.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -39.52 96.35 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.8 mt -68.75 -40.04 80.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.778 -0.836 . . . . 0.0 110.576 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -49.35 78.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.032 -1.042 . . . . 0.0 110.051 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.68 -40.17 92.09 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.968 -1.083 . . . . 0.0 108.49 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 -27.79 64.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.556 -0.715 . . . . 0.0 110.209 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.7 tt0 -60.51 138.79 57.97 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.547 -178.839 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -172.99 166.91 5.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.633 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.41 165.64 1.45 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.906 -1.121 . . . . 0.0 109.756 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -72.86 92.87 1.64 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.228 -0.92 . . . . 0.0 110.266 -178.586 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -102.38 -162.57 0.93 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.601 -0.687 . . . . 0.0 109.829 179.755 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' O ' ' OG ' ' A' ' 17' ' ' SER . 68.7 mttm -70.03 -30.68 68.02 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.771 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -60.29 -39.01 85.42 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.541 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.86 -39.72 86.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.19 -0.944 . . . . 0.0 109.225 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 95.0 p -60.11 -41.12 91.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.785 -1.197 . . . . 0.0 108.626 -179.929 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -106.64 90.24 3.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.402 -0.811 . . . . 0.0 109.388 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -70.13 -25.92 63.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 0.0 109.544 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -60.72 -40.05 90.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.181 -0.95 . . . . 0.0 110.468 -179.409 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.25 95.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.98 -1.075 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.464 ' SD ' ' C ' ' A' ' 22' ' ' MET . 14.6 tmm? -63.54 -40.02 95.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.402 -0.811 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -42.27 96.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.116 -0.99 . . . . 0.0 109.33 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -67.65 -40.13 84.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.342 -0.849 . . . . 0.0 110.106 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -60.94 -39.93 91.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -98.4 0.04 44.59 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.382 -0.824 . . . . 0.0 109.142 179.72 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m120 54.81 47.31 22.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.627 -0.67 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -118.35 151.3 49.28 Favored Pre-proline 0 N--CA 1.504 2.246 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.171 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.6 Cg_endo -69.47 150.68 70.31 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.504 1.47 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.37 -21.35 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.098 1.865 . . . . 0.0 112.664 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.3 t -60.08 -49.88 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.935 -1.103 . . . . 0.0 111.211 -177.979 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.58 -40.71 82.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 108.853 -179.773 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.534 -0.729 . . . . 0.0 110.012 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.9 -37.72 83.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -41.36 91.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.765 -1.209 . . . . 0.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.22 -40.13 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.818 -1.176 . . . . 0.0 108.108 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.76 -40.01 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.45 0.643 . . . . 0.0 109.293 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.511 -0.743 . . . . 0.0 109.849 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -72.92 -40.0 65.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.919 . . . . 0.0 110.232 -179.154 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.83 112.82 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.057 -1.027 . . . . 0.0 109.179 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.31 -39.91 88.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.442 -0.786 . . . . 0.0 110.819 -179.167 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.76 -39.96 90.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 0.0 110.114 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.74 -27.91 55.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.091 -1.006 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -74.82 -72.56 0.29 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.441 -0.787 . . . . 0.0 110.559 -177.917 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 110.95 9.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.324 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -89.98 -79.98 0.33 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.14 -0.975 . . . . 0.0 109.96 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.53 154.1 50.73 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -75.17 138.86 42.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.289 -1.124 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.73 -44.14 2.23 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.334 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 ttm -66.88 138.46 57.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 110.043 -179.704 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.92 171.22 13.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.575 -0.703 . . . . 0.0 109.598 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.17 9.06 0.05 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -131.22 46.72 2.63 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.543 -0.975 . . . . 0.0 109.641 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.37 124.35 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.251 -0.905 . . . . 0.0 109.344 179.773 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.416 -179.909 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.374 0.607 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.55 -39.96 92.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.418 -0.801 . . . . 0.0 110.363 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -65.13 -40.38 94.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.098 -1.001 . . . . 0.0 110.797 -178.994 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.54 96.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 77.3 mt -68.7 -40.0 81.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.804 -0.821 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.92 -49.23 78.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.101 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.82 -39.95 91.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.003 -1.061 . . . . 0.0 108.405 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.4 63.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.608 -0.682 . . . . 0.0 110.339 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -60.89 138.53 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.955 -1.091 . . . . 0.0 109.675 -178.914 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -172.82 166.98 5.26 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.63 165.94 1.49 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.912 -1.118 . . . . 0.0 109.682 -179.134 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -73.01 92.6 1.67 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.208 -0.932 . . . . 0.0 110.329 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -102.06 -162.61 0.94 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.557 -0.714 . . . . 0.0 109.753 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . 0.424 ' O ' ' OG ' ' B' ' 17' ' ' SER . 68.6 mttm -69.8 -31.0 68.66 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.844 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -60.02 -38.83 83.84 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.584 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.094 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' B' ' 14' ' ' LYS . 91.9 p -59.98 -41.09 91.25 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.962 -1.095 . . . . 0.0 108.626 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -106.71 90.01 3.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.372 -0.83 . . . . 0.0 109.465 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.06 -25.59 63.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.038 -1.039 . . . . 0.0 109.727 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -61.06 -40.05 92.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.016 -1.053 . . . . 0.0 110.271 -179.389 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.15 95.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.041 -1.037 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' B' ' 22' ' ' MET . 14.6 tmm? -63.7 -40.01 95.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.82 . . . . 0.0 109.254 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.34 95.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.376 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.2 m -67.69 -39.92 84.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.277 -0.889 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.818 -179.162 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -98.3 -0.19 44.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.24 -0.913 . . . . 0.0 109.216 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m120 55.18 46.83 23.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.596 -0.69 . . . . 0.0 110.707 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -117.95 151.55 49.03 Favored Pre-proline 0 N--CA 1.502 2.148 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.67 150.82 69.27 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.541 1.494 . . . . 0.0 111.336 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -41.43 -21.45 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.148 1.899 . . . . 0.0 112.669 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.7 t -60.05 -50.06 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.915 -1.115 . . . . 0.0 111.27 -178.194 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.42 -40.89 82.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.824 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.17 96.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.528 -0.733 . . . . 0.0 110.05 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.8 -37.7 82.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 110.016 179.316 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.94 -41.33 91.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.834 -1.166 . . . . 0.0 109.429 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -40.07 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.817 -1.177 . . . . 0.0 108.049 179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.73 -40.02 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.507 0.67 . . . . 0.0 109.359 179.297 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.75 94.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 109.852 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -73.05 -39.95 65.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.928 . . . . 0.0 110.266 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.88 112.58 13.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.005 -1.059 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.07 -40.14 88.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.826 -179.258 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.63 -40.06 90.56 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 m -76.41 -27.93 56.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.177 -0.952 . . . . 0.0 109.745 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.05 -72.31 0.31 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.343 -0.848 . . . . 0.0 110.532 -177.733 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -74.39 111.03 9.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 109.312 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -90.11 -79.95 0.33 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.051 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 154.54 50.9 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -75.46 138.72 41.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -1.136 . . . . 0.0 109.882 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.58 -44.51 2.23 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.49 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.8 ttm -66.57 138.68 57.65 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.973 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -84.01 171.56 12.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.512 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.8 9.45 0.05 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -131.42 46.86 2.6 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.42 -1.047 . . . . 0.0 109.544 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.5 t -97.47 124.45 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.296 -0.877 . . . . 0.0 109.159 179.776 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.24 179.877 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.351 0.596 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.11 -39.92 91.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.361 -0.837 . . . . 0.0 110.292 -179.526 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.16 -44.1 97.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.04 -179.143 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.01 94.99 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.9 mt -65.61 -39.93 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.486 -1.009 . . . . 0.0 109.476 179.604 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.98 -48.64 80.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.283 -0.885 . . . . 0.0 109.814 -179.209 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.9 -40.95 78.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 0.0 109.13 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.63 64.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -61.6 139.68 58.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.067 . . . . 0.0 109.34 -178.862 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.75 170.35 14.09 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.81 151.89 28.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.102 -0.999 . . . . 0.0 110.059 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -66.03 80.08 0.08 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.363 -0.836 . . . . 0.0 110.12 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -101.01 -156.63 0.56 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.463 -0.773 . . . . 0.0 109.09 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.09 -32.16 70.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.945 . . . . 0.0 109.608 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -59.97 -37.44 79.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.739 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -59.87 -40.13 87.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.974 -1.079 . . . . 0.0 109.554 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -60.01 -41.06 91.33 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.684 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -97.81 86.34 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 108.879 178.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -70.02 -26.52 64.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 -179.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.06 -40.0 92.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.136 -0.977 . . . . 0.0 109.472 -179.459 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.11 89.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -0.917 . . . . 0.0 109.363 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -61.16 -42.1 97.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.463 -0.773 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.66 99.81 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.524 -0.735 . . . . 0.0 110.178 -179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.05 -40.06 92.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.935 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -100.26 -0.38 38.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.282 -0.886 . . . . 0.0 109.902 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 56.12 42.41 28.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.392 -0.817 . . . . 0.0 110.076 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 mt -113.84 151.72 44.98 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.8 Cg_endo -70.01 149.47 65.37 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.208 1.272 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.76 -18.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.111 1.874 . . . . 0.0 112.74 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' PRO . 57.4 t -60.09 -49.94 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.896 -1.128 . . . . 0.0 110.969 -177.901 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.89 -43.25 86.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.853 -1.154 . . . . 0.0 109.63 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.36 96.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.116 -0.99 . . . . 0.0 109.234 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -60.42 -38.3 83.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.928 . . . . 0.0 109.774 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.94 -42.82 94.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.507 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.62 -40.15 85.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.087 -1.008 . . . . 0.0 108.81 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.88 -40.02 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.313 -0.867 . . . . 0.0 109.521 179.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -38.95 91.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.455 -0.778 . . . . 0.0 109.51 -179.603 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.52 -40.01 64.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.725 -179.753 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -76.29 113.75 14.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.223 -0.923 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.09 -39.98 94.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.49 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.12 -40.43 89.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.0 110.723 -179.123 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -78.17 -30.63 49.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.912 -1.117 . . . . 0.0 109.738 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.76 HE21 ' HG3' ' B' ' 44' ' ' GLN . 60.2 tt0 -79.55 -70.04 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.059 -178.771 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.6 134.65 45.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.162 -0.961 . . . . 0.0 109.817 -179.398 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -90.03 -17.49 27.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.39 21.85 57.71 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -90.02 13.53 14.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.427 -1.043 . . . . 0.0 109.487 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.74 136.25 10.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.596 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.442 ' O ' ' O ' ' B' ' 50' ' ' MET . 63.7 mtt -69.66 140.05 53.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.414 -179.725 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -156.29 146.14 21.11 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.363 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.58 152.15 20.25 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -89.98 0.32 57.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.319 -1.107 . . . . 0.0 108.78 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 31.5 m -93.46 141.78 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.426 -0.796 . . . . 0.0 109.845 -179.586 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' OXT' ' A' ' 55' ' ' ASP . 41.1 t0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.512 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.08 -40.07 92.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.257 -0.902 . . . . 0.0 110.358 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.94 -44.25 97.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.0 110.084 -179.211 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.07 -38.93 95.06 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 9' ' ' GLN . 62.0 mt -65.44 -40.06 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.496 -1.002 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.98 -48.53 81.33 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.789 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -69.0 -40.92 78.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.088 -1.007 . . . . 0.0 109.191 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.38 64.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.735 -0.603 . . . . 0.0 110.245 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.9 tt0 -61.59 139.79 58.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.051 . . . . 0.0 109.311 -179.004 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -166.1 170.2 13.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.6 152.25 26.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.993 -179.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -66.51 80.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.07 -156.58 0.56 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.496 -0.753 . . . . 0.0 109.09 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -70.02 -32.19 70.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.664 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -37.35 79.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.748 -179.389 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.966 -1.084 . . . . 0.0 109.54 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.6 p -60.0 -41.06 91.3 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.925 -1.109 . . . . 0.0 108.627 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -97.76 86.31 3.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.43 -0.794 . . . . 0.0 108.988 179.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.02 -26.57 64.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.213 -0.929 . . . . 0.0 109.529 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -61.11 -40.01 92.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 0.0 109.424 -179.39 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.15 89.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.975 . . . . 0.0 109.354 179.705 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.06 -42.37 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.482 -0.761 . . . . 0.0 109.683 -179.644 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.86 99.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.679 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.0 t -69.01 -40.01 78.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 0.0 110.187 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.07 -39.99 91.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 0.0 110.091 -179.382 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.39 -0.38 38.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 56.12 42.44 28.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.489 -0.757 . . . . 0.0 110.084 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.89 151.6 44.91 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.408 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.4 Cg_endo -69.95 149.26 65.42 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.286 1.324 . . . . 0.0 110.93 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.62 -19.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.161 1.907 . . . . 0.0 112.628 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.9 t -59.95 -50.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.876 -1.14 . . . . 0.0 111.106 -177.953 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.8 -43.28 86.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 120.903 -1.123 . . . . 0.0 109.569 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.59 97.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 109.211 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -60.19 -38.31 82.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.211 -0.931 . . . . 0.0 109.768 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.92 -42.94 95.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 109.545 -179.072 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.52 -39.96 84.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.146 -0.972 . . . . 0.0 108.938 179.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.06 -40.0 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.422 -0.799 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.24 -39.0 92.13 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.494 -0.754 . . . . 0.0 109.493 -179.547 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.6 m -73.49 -39.95 64.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.787 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.33 113.83 14.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.05 -40.03 94.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 110.498 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.16 -40.26 89.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 110.739 -179.055 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.38 -30.59 47.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.998 -1.064 . . . . 0.0 109.676 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.76 ' HG3' HE21 ' A' ' 44' ' ' GLN . 7.2 tt0 -79.57 -70.07 0.54 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 110.028 -178.764 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.51 134.66 45.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.202 -0.936 . . . . 0.0 109.836 -179.337 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -89.99 -17.34 28.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.4 -0.812 . . . . 0.0 109.591 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 21.81 58.01 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -89.92 13.49 14.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.372 -1.075 . . . . 0.0 109.462 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 136.41 10.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.14 -0.975 . . . . 0.0 109.636 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' MET . 63.3 mtt -69.9 139.92 53.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.227 -0.921 . . . . 0.0 109.388 -179.722 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -156.14 145.86 21.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.417 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.27 152.08 20.28 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -89.96 0.23 57.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -1.052 . . . . 0.0 108.674 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.6 m -93.44 141.64 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.464 -0.773 . . . . 0.0 109.881 -179.564 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' OXT' ' OD1' ' B' ' 55' ' ' ASP . 41.7 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.517 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.344 0.592 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.91 -40.9 94.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.383 -0.823 . . . . 0.0 110.814 -178.851 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.98 -45.68 93.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.269 -179.099 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.8 96.37 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 179.797 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.08 -39.9 87.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.618 -0.931 . . . . 0.0 110.175 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.26 -43.57 96.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.718 -1.239 . . . . 0.0 109.995 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.62 -40.42 76.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.0 -1.062 . . . . 0.0 108.628 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.02 68.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.532 -0.73 . . . . 0.0 110.084 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.07 139.93 57.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.894 -1.129 . . . . 0.0 109.099 -178.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -169.07 159.88 9.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 109.17 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.48 162.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.502 -0.749 . . . . 0.0 110.207 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 75.6 t60 -71.07 70.86 0.54 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -82.25 -174.17 4.97 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.566 -0.709 . . . . 0.0 109.718 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -68.46 -24.93 64.76 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.06 -33.77 72.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 109.66 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -59.96 -40.81 90.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.876 -1.14 . . . . 0.0 109.229 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -60.91 -46.95 88.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 108.186 179.31 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.29 79.32 4.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -69.97 -23.34 63.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 -179.56 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.95 -40.19 92.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 0.0 110.322 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.16 96.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.893 -1.13 . . . . 0.0 109.403 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.0 ttp -62.99 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.719 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.42 -46.43 88.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 109.367 179.672 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 110.087 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.44 -0.788 . . . . 0.0 109.82 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.46 1.3 43.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.891 . . . . 0.0 109.707 -179.83 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 54.37 47.69 22.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.415 -0.803 . . . . 0.0 110.465 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -119.67 150.75 50.86 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.222 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 50.3 Cg_endo -69.77 152.15 69.16 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.588 1.525 . . . . 0.0 111.073 179.617 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -42.55 -17.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.101 1.867 . . . . 0.0 112.472 -179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' PRO . 98.0 t -60.02 -54.66 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.978 -1.076 . . . . 0.0 111.179 -178.312 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.88 -40.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.1 -1.0 . . . . 0.0 108.983 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.89 86.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.98 -39.81 95.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.929 -1.107 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.55 -40.27 90.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.843 -1.161 . . . . 0.0 109.7 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.1 -39.93 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.058 -1.026 . . . . 0.0 108.401 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.15 -40.17 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.09 69.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 109.947 -179.313 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -73.07 -33.91 65.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.123 -0.986 . . . . 0.0 109.483 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.64 112.04 11.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.0 109.403 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -40.09 89.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.494 -0.754 . . . . 0.0 110.379 -179.815 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.25 -41.21 92.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 52.9 m -77.92 -29.96 50.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.773 -179.805 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.1 -69.85 0.54 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.471 -0.768 . . . . 0.0 111.47 -177.625 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.5 129.09 38.3 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.885 -1.134 . . . . 0.0 110.192 -178.623 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -90.83 -167.48 1.83 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.881 . . . . 0.0 108.931 179.191 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.15 163.29 0.79 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.28 140.9 54.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.995 -1.297 . . . . 0.0 110.109 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -83.04 150.83 26.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.415 -0.803 . . . . 0.0 109.718 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.4 ptm -89.98 146.27 24.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.7 -41.12 94.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.12 -150.14 19.93 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 -179.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.6 130.67 34.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -1.218 . . . . 0.0 109.371 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.09 133.6 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.343 -0.848 . . . . 0.0 109.344 179.887 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.841 -179.566 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.327 0.584 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.16 -40.39 93.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.53 -45.5 93.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 110.125 -179.132 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.76 -38.43 95.92 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.04 -39.96 87.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.583 -0.951 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.99 -43.57 95.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.774 -1.204 . . . . 0.0 110.101 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.76 -40.37 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.89 -1.131 . . . . 0.0 108.651 179.401 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.72 67.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 110.3 179.421 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.16 139.41 58.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.1 -1.0 . . . . 0.0 109.223 -178.934 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -168.52 159.99 10.65 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.296 -0.877 . . . . 0.0 109.31 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.8 162.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.326 -0.858 . . . . 0.0 110.1 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.471 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 75.2 t60 -71.0 70.99 0.53 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.361 -0.837 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.28 -174.49 5.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.588 -0.695 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.73 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -59.98 -33.61 72.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.713 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -40.42 89.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.872 -1.143 . . . . 0.0 109.311 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -61.28 -46.76 88.99 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.126 . . . . 0.0 108.209 179.199 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.39 78.96 4.41 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.612 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -69.86 -23.09 63.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.909 . . . . 0.0 109.755 -179.566 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -61.15 -40.06 92.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.0 110.291 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.917 -1.115 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.7 ttp -63.02 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.423 -0.798 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.38 -46.26 89.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 109.282 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.04 -39.82 93.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.844 . . . . 0.0 110.171 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -61.79 -39.98 93.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.942 -179.582 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -99.53 0.69 42.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.222 -0.924 . . . . 0.0 109.673 -179.705 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.4 m-20 55.17 47.26 22.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.327 -0.858 . . . . 0.0 110.395 179.487 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -119.57 150.76 50.64 Favored Pre-proline 0 N--CA 1.502 2.149 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.2 Cg_endo -69.93 152.44 68.43 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.551 1.501 . . . . 0.0 111.256 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.8 -17.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.974 1.783 . . . . 0.0 112.456 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.4 t -60.05 -54.4 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.09 -1.006 . . . . 0.0 111.189 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.15 -40.98 83.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.295 -0.878 . . . . 0.0 108.949 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.98 85.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.511 -0.743 . . . . 0.0 109.939 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.74 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.965 -1.084 . . . . 0.0 110.234 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.37 -40.47 90.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.95 -1.094 . . . . 0.0 109.785 -179.499 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.62 -40.34 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.881 -1.137 . . . . 0.0 108.093 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.32 -39.9 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.651 -0.655 . . . . 0.0 109.277 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.68 68.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.411 -0.806 . . . . 0.0 110.099 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -73.34 -33.72 65.27 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.56 112.1 11.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 109.244 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.76 -39.91 90.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.394 -0.816 . . . . 0.0 110.41 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.04 -41.36 92.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 110.189 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . 0.471 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 46.6 m -77.94 -30.03 50.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.008 -1.058 . . . . 0.0 109.726 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -79.15 -69.98 0.54 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.37 129.09 38.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.854 -1.153 . . . . 0.0 110.115 -178.791 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -90.86 -167.55 1.85 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 108.94 179.254 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.03 163.38 0.75 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.495 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.48 140.43 54.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 109.951 -179.412 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -82.36 150.7 27.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.444 -0.785 . . . . 0.0 109.863 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptm -90.07 146.0 24.65 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.177 -0.952 . . . . 0.0 109.655 179.674 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -60.27 -41.08 92.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.109 -0.994 . . . . 0.0 109.657 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.98 -150.19 19.91 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 -179.627 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -86.38 130.95 34.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.249 -1.148 . . . . 0.0 109.359 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.4 133.17 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.369 -0.832 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.793 -179.439 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.522 0.677 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.08 -40.11 92.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.524 -179.384 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 8.9 p-10 -61.49 -49.79 75.33 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -179.069 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.61 -38.14 86.26 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.652 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HD11 HG22 ' A' ' 5' ' ' ILE . 64.2 mt -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -1.027 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -69.45 -40.0 77.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 108.675 179.275 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -27.42 63.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 110.092 179.615 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.63 126.18 26.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 0.0 109.73 -178.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -148.1 -164.12 1.94 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.45 -0.781 . . . . 0.0 109.15 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 43.1 mp0 -75.07 158.42 33.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.734 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.37 77.06 2.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.548 -179.677 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.86 -156.44 0.56 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.384 -0.823 . . . . 0.0 109.581 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.32 -30.42 68.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -60.0 -38.9 83.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.372 -0.83 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.99 -39.99 87.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.973 -1.08 . . . . 0.0 108.431 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -67.67 -39.99 84.48 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.955 -1.091 . . . . 0.0 108.536 179.199 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -94.05 80.71 4.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 109.11 179.382 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -70.06 -27.57 64.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -60.1 -40.04 88.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 -179.07 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.49 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.12 -40.88 97.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.255 -0.903 . . . . 0.0 109.452 -179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.63 -40.52 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.042 -1.036 . . . . 0.0 108.949 179.882 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -68.8 -39.9 79.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.499 -0.751 . . . . 0.0 110.287 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -61.56 -39.95 92.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.763 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.92 -1.38 40.14 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.409 -0.807 . . . . 0.0 109.519 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 84.7 m-20 53.95 45.92 26.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.74 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.98 151.2 44.61 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.7 Cg_endo -71.61 149.35 55.12 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.593 1.529 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -40.95 -20.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.161 1.908 . . . . 0.0 112.56 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 59.8 t -59.87 -50.82 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.805 -1.184 . . . . 0.0 110.516 -177.824 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.61 -42.42 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.842 -1.161 . . . . 0.0 109.271 179.485 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.98 95.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.297 -0.877 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -62.0 -40.11 94.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.028 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 12.6 tm-20 -59.87 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.064 -1.022 . . . . 0.0 110.344 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.8 mt -61.14 -40.02 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.744 -1.223 . . . . 0.0 108.173 179.912 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.1 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 108.765 179.072 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -38.61 83.89 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.653 -0.655 . . . . 0.0 109.688 179.84 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.5 m -71.67 -40.12 69.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.315 -0.866 . . . . 0.0 109.853 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -76.32 115.07 15.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.09 -1.006 . . . . 0.0 109.229 179.773 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.17 -40.05 88.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 0.0 110.176 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -59.93 -42.27 93.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 109.855 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.04 -22.64 42.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -75.97 -71.44 0.38 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.173 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.54 92.96 4.1 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.21 -0.931 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -99.61 143.2 30.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.574 -0.704 . . . . 0.0 109.804 -179.672 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.89 -168.01 40.81 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.25 128.58 46.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -1.064 . . . . 0.0 109.906 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.8 -33.52 6.94 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.326 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mtm -87.12 154.21 20.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.42 -0.8 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -60.03 147.31 39.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.114 -0.991 . . . . 0.0 109.422 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.5 -111.1 3.29 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -62.89 126.0 25.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.191 -1.182 . . . . 0.0 108.835 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -150.58 15.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.108 -0.995 . . . . 0.0 109.334 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.639 -179.914 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.499 0.666 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.33 -39.96 92.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.581 -0.699 . . . . 0.0 110.531 -179.435 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 9.1 p-10 -61.34 -50.0 74.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.944 . . . . 0.0 110.436 -179.173 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.05 85.85 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.579 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' ILE . . . . . 0.426 HG22 HD11 ' B' ' 5' ' ' ILE . 63.5 mt -64.66 -40.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.397 -1.061 . . . . 0.0 110.276 179.999 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -59.93 -41.56 92.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.887 -1.133 . . . . 0.0 110.032 -178.718 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.29 -40.18 77.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.973 -1.079 . . . . 0.0 108.598 179.281 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.59 64.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.641 -0.662 . . . . 0.0 110.046 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.53 126.19 26.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.012 . . . . 0.0 109.734 -178.876 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -148.11 -163.89 1.88 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 42.9 mp0 -75.21 158.52 32.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 109.727 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -75.39 77.14 2.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 109.594 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.97 -156.72 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.475 -0.766 . . . . 0.0 109.515 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.16 -30.47 68.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.206 -0.934 . . . . 0.0 109.203 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -59.91 -38.98 83.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.148 -179.698 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.94 -40.0 87.48 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.181 -1.008 . . . . 0.0 108.5 179.593 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.6 p -67.55 -39.97 84.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.912 -1.118 . . . . 0.0 108.621 179.097 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.14 80.6 4.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.843 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -69.98 -27.53 64.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 109.688 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -60.04 -40.14 88.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.909 . . . . 0.0 109.678 -179.089 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.57 98.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.571 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.5 ttp -64.19 -41.12 97.22 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.243 -0.91 . . . . 0.0 109.461 -179.905 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.39 -40.58 96.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.149 -0.969 . . . . 0.0 109.021 179.852 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -68.6 -40.09 80.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.508 -0.745 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 109.747 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -99.03 -1.22 40.25 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.406 -0.809 . . . . 0.0 109.441 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.4 m-20 53.72 45.9 27.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.0 109.791 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.96 151.16 44.56 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 31' ' ' VAL . 59.6 Cg_endo -71.43 149.3 56.16 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.613 1.542 . . . . 0.0 111.363 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.96 -20.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.118 1.879 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' PRO . 62.2 t -59.87 -51.02 77.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.772 -1.205 . . . . 0.0 110.675 -177.776 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 -42.46 80.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.817 -1.177 . . . . 0.0 109.207 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.94 95.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.353 -0.842 . . . . 0.0 109.961 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -61.98 -39.96 93.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.095 -1.003 . . . . 0.0 110.087 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . 0.428 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 12.4 tm-20 -60.1 -39.92 87.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.079 -1.013 . . . . 0.0 110.376 -178.841 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 16.2 mt -61.3 -39.89 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.771 -1.205 . . . . 0.0 108.169 179.825 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.02 -40.07 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.177 -0.952 . . . . 0.0 108.795 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.54 -38.82 84.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.677 -0.64 . . . . 0.0 109.726 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' SER . . . . . 0.428 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 61.0 m -71.51 -40.04 70.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.254 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.45 114.86 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.125 -0.985 . . . . 0.0 109.157 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -60.1 -40.01 88.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.452 -0.78 . . . . 0.0 110.155 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.08 -42.22 94.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.083 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.12 -22.44 42.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.858 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 33.7 tt0 -76.23 -71.19 0.4 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.183 -0.948 . . . . 0.0 110.259 -178.45 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.82 92.93 4.27 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.155 -0.966 . . . . 0.0 108.786 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -99.56 143.03 30.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.54 -0.725 . . . . 0.0 109.852 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.89 -168.06 40.87 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -100.2 128.15 46.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.308 -1.113 . . . . 0.0 109.914 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.48 -33.37 7.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.504 -0.748 . . . . 0.0 108.986 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mtm -87.34 154.28 20.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.5 -0.75 . . . . 0.0 109.168 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -59.97 147.19 39.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.025 -1.047 . . . . 0.0 109.507 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.45 -111.4 3.32 Favored Glycine 0 N--CA 1.501 3.014 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -62.95 126.46 27.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -1.187 . . . . 0.0 108.724 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 p -150.69 15.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.158 -0.964 . . . . 0.0 109.42 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.53 -179.77 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.392 0.615 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.7 -41.31 94.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.547 -0.72 . . . . 0.0 111.009 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.11 -41.11 99.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.969 -1.082 . . . . 0.0 110.062 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.47 96.08 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.34 -39.94 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.517 -0.99 . . . . 0.0 110.288 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.06 -46.67 88.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.996 -1.065 . . . . 0.0 109.784 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -69.58 -40.08 76.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.874 -1.141 . . . . 0.0 109.132 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.42 132.74 53.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.208 -0.933 . . . . 0.0 110.196 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 4.0 tp10 -158.31 -149.61 0.23 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 79.8 mt-10 -80.95 155.1 26.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.053 -1.03 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.32 78.72 1.0 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.423 -0.798 . . . . 0.0 109.158 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -100.38 -155.98 0.53 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.369 -0.832 . . . . 0.0 109.911 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -69.77 -30.9 68.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.417 -0.802 . . . . 0.0 109.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -59.94 -39.99 87.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.461 -0.774 . . . . 0.0 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.39 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -60.41 -49.03 79.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.946 -1.097 . . . . 0.0 108.866 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -95.37 91.56 6.29 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.341 -0.849 . . . . 0.0 108.868 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.02 -27.28 64.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 110.009 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -39.98 88.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.153 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.83 94.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.083 -1.011 . . . . 0.0 109.561 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.89 -42.35 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.022 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.74 95.32 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.14 -0.975 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -70.06 -39.98 75.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 109.749 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.75 -39.98 90.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 109.976 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -99.22 0.56 43.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.313 -0.867 . . . . 0.0 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 53.27 44.74 29.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.793 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.2 mt -113.37 150.91 43.88 Favored Pre-proline 0 N--CA 1.499 2.017 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.9 Cg_endo -67.95 145.35 67.68 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 121.287 1.324 . . . . 0.0 110.805 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.23 -18.1 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.313 2.009 . . . . 0.0 113.087 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.2 t -59.98 -50.05 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.95 -1.094 . . . . 0.0 110.693 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.71 -41.98 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.8 -1.188 . . . . 0.0 109.58 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 110.279 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.9 -39.46 89.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -0.983 . . . . 0.0 110.162 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.59 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.849 -1.157 . . . . 0.0 108.809 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.84 -40.03 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.43 -0.794 . . . . 0.0 108.904 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.75 89.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.586 -0.696 . . . . 0.0 109.671 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -72.7 -39.96 66.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 110.278 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 t -75.85 112.62 12.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.988 -1.07 . . . . 0.0 108.754 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 110.365 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.88 -39.99 91.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.086 -1.009 . . . . 0.0 109.997 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -77.71 -27.72 50.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.87 -1.143 . . . . 0.0 110.089 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.147 -0.97 . . . . 0.0 110.56 -178.436 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.445 0.64 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.48 -41.7 94.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 110.959 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.89 -40.94 99.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -38.47 96.17 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.25 -40.0 85.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.519 -0.989 . . . . 0.0 110.269 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.98 -46.87 88.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.943 -1.098 . . . . 0.0 109.816 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.49 -40.04 77.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.138 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.06 80.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.516 -0.74 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.63 133.18 54.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 4.0 tp10 -158.68 -149.55 0.22 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.415 -0.803 . . . . 0.0 109.12 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 80.0 mt-10 -80.84 155.17 26.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.073 -1.017 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.57 78.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 0.0 109.072 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -100.3 -155.84 0.53 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.419 -0.8 . . . . 0.0 109.858 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -69.91 -30.8 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.08 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.389 -0.819 . . . . 0.0 109.005 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.07 -40.93 91.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.16 -0.963 . . . . 0.0 109.43 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -60.17 -49.1 78.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.859 -1.15 . . . . 0.0 108.911 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -95.25 91.43 6.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.164 -0.96 . . . . 0.0 109.001 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -70.01 -27.22 64.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.957 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.198 -0.939 . . . . 0.0 110.048 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.81 94.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 109.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.4 ttp -60.91 -42.24 97.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.64 95.37 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -70.0 -40.03 75.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 109.752 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.71 -40.0 90.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.926 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -99.21 0.5 43.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 109.505 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 53.31 44.74 29.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.406 -0.809 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -113.4 150.89 43.86 Favored Pre-proline 0 N--CA 1.501 2.103 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 31' ' ' VAL . 40.1 Cg_endo -67.84 145.33 68.27 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.309 1.339 . . . . 0.0 110.809 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -40.22 -18.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.343 2.029 . . . . 0.0 113.112 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.2 t -59.94 -49.93 82.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.958 -1.089 . . . . 0.0 110.711 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.8 -42.0 85.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.799 -1.188 . . . . 0.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.45 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.193 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -61.11 -39.28 89.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.144 -0.972 . . . . 0.0 110.239 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.967 -1.083 . . . . 0.0 109.609 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -39.98 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.872 -1.142 . . . . 0.0 108.87 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.85 -39.98 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.842 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.92 89.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.556 -0.715 . . . . 0.0 109.634 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.4 m -72.62 -40.01 66.81 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.893 . . . . 0.0 110.309 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.74 112.56 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.964 -1.085 . . . . 0.0 108.667 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.97 -39.98 91.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.103 -0.998 . . . . 0.0 109.949 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 m -77.75 -27.57 50.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.957 -1.089 . . . . 0.0 110.149 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.058 . . . . 0.0 110.646 -178.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.484 0.659 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.27 -39.99 88.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.491 -0.756 . . . . 0.0 110.144 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.08 -49.98 75.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.171 -0.956 . . . . 0.0 110.412 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.99 96.64 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.4 mt -64.77 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.99 . . . . 0.0 110.247 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.0 -47.87 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.038 -1.039 . . . . 0.0 109.56 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.37 -40.06 81.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.164 -0.96 . . . . 0.0 108.998 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.82 70.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.566 -0.709 . . . . 0.0 109.872 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.5 tt0 -61.19 127.16 30.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.388 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -149.29 -164.44 2.03 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.419 -0.801 . . . . 0.0 109.173 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -79.88 156.21 27.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.428 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 67.0 t60 -69.61 72.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.2 -0.937 . . . . 0.0 109.467 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.08 -151.19 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.9 -30.99 68.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.215 -0.928 . . . . 0.0 109.922 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -59.98 -39.98 87.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.08 -1.012 . . . . 0.0 109.786 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.43 -39.99 89.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.01 -1.056 . . . . 0.0 109.56 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -61.19 -45.29 95.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.093 . . . . 0.0 109.227 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -96.32 89.9 5.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.279 -0.888 . . . . 0.0 109.346 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -70.02 -27.18 64.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.16 -0.962 . . . . 0.0 109.247 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.57 -39.92 89.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.73 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.002 -1.061 . . . . 0.0 108.83 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -62.71 -43.12 99.64 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.505 -0.747 . . . . 0.0 109.532 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.03 -44.24 96.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.119 -0.988 . . . . 0.0 109.816 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.7 m -68.33 -40.05 81.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.32 -41.82 94.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 110.334 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -102.33 -0.01 33.45 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.44 -0.788 . . . . 0.0 110.031 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.7 m-20 55.82 43.15 28.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.498 -0.751 . . . . 0.0 110.786 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.41 150.93 43.35 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -68.38 149.38 75.09 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 121.555 1.503 . . . . 0.0 111.288 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.73 -18.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.114 1.876 . . . . 0.0 112.4 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.5 t -59.98 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.046 -1.034 . . . . 0.0 110.793 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.72 -43.45 82.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.789 -1.194 . . . . 0.0 109.249 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.76 93.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.256 -0.903 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.52 -40.05 96.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 35' ' ' GLU . 2.7 tm-20 -60.82 -40.03 91.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.859 -1.15 . . . . 0.0 109.572 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.8 mt -61.8 -40.0 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.984 -1.073 . . . . 0.0 108.664 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.89 -39.99 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.62 78.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.648 . . . . 0.0 109.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.75 -37.58 65.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.011 . . . . 0.0 110.271 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -74.84 114.73 13.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.837 -1.164 . . . . 0.0 109.371 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.14 -39.95 88.11 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.239 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -61.32 -44.45 97.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.061 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 12.0 m -79.98 -32.52 39.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.017 -1.052 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.459 -0.775 . . . . 0.0 112.058 -176.795 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.507 0.67 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.15 -40.07 88.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.377 -0.827 . . . . 0.0 110.139 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.03 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.113 -0.992 . . . . 0.0 110.406 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -40.03 96.7 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -1.028 . . . . 0.0 110.241 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.08 -47.88 84.06 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 109.516 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.27 -39.97 82.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.152 -0.968 . . . . 0.0 108.974 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -32.79 70.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.535 -0.728 . . . . 0.0 109.868 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.18 127.24 30.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.266 -0.896 . . . . 0.0 109.361 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -149.44 -164.35 2.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.425 -0.797 . . . . 0.0 109.158 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -79.97 156.29 27.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.377 -0.827 . . . . 0.0 109.64 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 66.7 t60 -69.63 71.99 0.34 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.077 -1.014 . . . . 0.0 109.515 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -100.92 -151.12 0.4 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.488 -0.757 . . . . 0.0 109.53 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.05 -30.74 68.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 109.927 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.941 -1.099 . . . . 0.0 109.571 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -61.08 -45.53 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.968 -1.083 . . . . 0.0 109.201 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -96.34 90.39 5.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.202 -0.936 . . . . 0.0 109.293 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -69.97 -27.37 64.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.187 -0.945 . . . . 0.0 109.275 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 110.079 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.075 -1.015 . . . . 0.0 108.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.444 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.9 ttm -62.6 -43.1 99.67 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.88 -44.34 96.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.858 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -68.29 -40.06 81.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.937 . . . . 0.0 110.082 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.4 -41.88 94.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.337 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -102.38 0.06 33.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.325 -0.86 . . . . 0.0 110.044 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 23' ' ' ALA . 95.7 m-20 55.8 42.9 28.56 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.809 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.97 150.87 43.02 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.3 Cg_endo -68.54 149.51 74.34 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.432 1.421 . . . . 0.0 111.413 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -40.69 -18.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.242 1.961 . . . . 0.0 112.42 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.8 t -60.11 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.031 -1.043 . . . . 0.0 110.688 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.76 -43.65 82.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.352 -0.842 . . . . 0.0 109.817 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.45 -40.02 96.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 110.032 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' B' ' 35' ' ' GLU . 2.7 tm-20 -60.87 -39.95 91.16 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.959 -1.088 . . . . 0.0 109.603 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.444 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.2 mt -61.98 -39.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.061 -1.025 . . . . 0.0 108.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.88 -39.99 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.56 78.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.581 -0.7 . . . . 0.0 109.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -73.77 -37.59 64.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.103 -0.998 . . . . 0.0 110.255 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.94 114.73 13.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.88 -1.137 . . . . 0.0 109.313 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.21 -40.08 88.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.09 -44.44 97.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -0.96 . . . . 0.0 110.123 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 11.5 m -79.93 -32.42 40.08 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.029 -1.045 . . . . 0.0 110.449 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.382 -0.824 . . . . 0.0 112.059 -176.804 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.461 0.648 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.24 -40.05 94.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 110.492 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 -41.88 95.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.011 -1.055 . . . . 0.0 110.423 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.59 96.59 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.78 -40.19 85.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.607 -0.937 . . . . 0.0 110.332 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.95 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.764 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -68.55 -41.18 80.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.309 -0.957 . . . . 0.0 109.204 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.73 74.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.356 -0.84 . . . . 0.0 109.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.16 137.5 58.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.015 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.03 -174.96 3.5 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' GLU . 33.9 tt0 -62.6 149.95 41.92 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.179 -0.95 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 69.0 t60 -64.14 75.67 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.392 -0.818 . . . . 0.0 109.849 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 91.9 mt-10 -90.03 -162.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.477 -0.764 . . . . 0.0 109.847 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.53 -30.04 67.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.837 . . . . 0.0 109.958 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -59.88 -32.43 70.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.247 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.02 -40.29 88.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.77 -1.206 . . . . 0.0 109.348 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -60.4 -40.58 91.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.949 -1.094 . . . . 0.0 108.551 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.87 82.81 2.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.673 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -70.12 -26.8 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.186 -0.946 . . . . 0.0 109.486 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 20' ' ' ARG . 31.1 mtm-85 -61.42 -40.91 96.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.053 -1.029 . . . . 0.0 109.802 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.875 . . . . 0.0 109.434 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.87 -40.92 97.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.209 -0.932 . . . . 0.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.03 98.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.005 -1.06 . . . . 0.0 109.6 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.63 -40.18 76.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.424 -0.798 . . . . 0.0 110.319 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.12 -40.04 92.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.129 -0.982 . . . . 0.0 110.092 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -99.14 0.3 43.18 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.379 -0.825 . . . . 0.0 109.537 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.42 42.93 31.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.5 -0.75 . . . . 0.0 110.481 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -112.15 150.52 42.58 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.9 Cg_endo -68.7 147.23 69.18 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.602 1.535 . . . . 0.0 111.303 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.07 -18.77 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.401 2.067 . . . . 0.0 112.478 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -59.87 -50.18 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.02 . . . . 0.0 110.322 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -40.21 79.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.69 97.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.79 -39.03 87.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.262 -0.899 . . . . 0.0 109.531 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -59.9 -42.15 93.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 0.0 109.795 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.59 -40.75 87.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 120.9 -1.125 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.81 -39.94 84.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.209 -0.932 . . . . 0.0 108.944 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.99 -39.78 90.61 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.474 -0.766 . . . . 0.0 109.911 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -72.24 -37.53 69.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.184 -0.948 . . . . 0.0 109.994 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.6 t -75.14 107.65 7.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.956 -1.09 . . . . 0.0 109.26 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.01 -39.96 87.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.373 -0.829 . . . . 0.0 110.395 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.16 -0.962 . . . . 0.0 109.651 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.5 m -73.21 -35.4 66.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.081 . . . . 0.0 109.212 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.506 -0.746 . . . . 0.0 110.592 -178.292 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.421 0.629 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.53 -40.23 93.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.69 -41.19 96.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.03 -1.044 . . . . 0.0 110.669 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.57 -37.64 94.68 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.27 -39.59 83.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.711 -0.876 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.66 -46.58 89.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -68.37 -41.26 80.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.142 -0.974 . . . . 0.0 109.204 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.51 74.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.527 -0.733 . . . . 0.0 109.943 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.3 137.78 58.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.04 -174.76 3.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 13' ' ' GLU . 33.9 tt0 -63.12 149.8 44.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.202 -0.936 . . . . 0.0 109.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -63.71 76.49 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.466 -0.771 . . . . 0.0 109.711 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 11' ' ' GLU . 91.8 mt-10 -91.19 -162.29 0.9 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.386 -0.821 . . . . 0.0 109.81 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.62 -29.8 67.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.544 -0.722 . . . . 0.0 110.025 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -60.07 -32.88 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.078 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.98 -40.23 88.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.74 -1.225 . . . . 0.0 109.37 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -60.58 -40.24 91.0 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.919 -1.113 . . . . 0.0 108.8 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.08 82.7 2.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.472 -0.768 . . . . 0.0 109.393 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.02 -27.37 64.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -61.06 -40.77 94.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.634 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttp -64.32 -41.12 96.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 0.0 109.681 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.92 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.029 -1.045 . . . . 0.0 109.49 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.8 t -69.97 -40.1 75.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.488 -0.758 . . . . 0.0 110.314 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.97 -40.06 91.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -99.23 0.41 43.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.271 -0.893 . . . . 0.0 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.37 43.16 30.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.473 -0.767 . . . . 0.0 110.478 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -111.86 150.92 43.05 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.8 Cg_endo -68.66 147.31 69.59 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.565 1.51 . . . . 0.0 111.3 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -40.27 -18.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.3 2.0 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.6 t -59.85 -50.2 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.07 -1.019 . . . . 0.0 110.51 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.23 -40.27 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.086 -1.008 . . . . 0.0 108.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.42 96.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.682 -0.636 . . . . 0.0 109.652 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -60.99 -38.68 86.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.0 109.32 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.0 -42.12 93.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.81 -40.61 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 120.848 -1.158 . . . . 0.0 109.074 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.03 -40.24 85.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -65.9 -39.56 90.73 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.493 -0.755 . . . . 0.0 109.836 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -71.96 -38.85 69.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.34 -0.85 . . . . 0.0 110.06 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 t -74.46 108.15 7.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.906 -1.121 . . . . 0.0 109.24 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.61 -39.61 88.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.506 -0.746 . . . . 0.0 110.483 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.09 -39.77 87.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.049 -1.032 . . . . 0.0 109.593 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -73.71 -34.44 64.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.911 -1.118 . . . . 0.0 108.848 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 121.651 -0.656 . . . . 0.0 110.581 -178.313 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.384 0.612 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.47 -40.27 90.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.441 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -61.91 -50.07 73.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.074 -1.016 . . . . 0.0 109.439 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.86 -36.88 89.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.65 -40.11 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -1.148 . . . . 0.0 109.735 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.18 -48.33 82.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.027 . . . . 0.0 109.667 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.9 -39.96 75.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.888 -1.132 . . . . 0.0 109.175 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -34.17 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.449 -0.782 . . . . 0.0 109.797 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.15 133.52 55.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.52 -164.63 2.07 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.252 -0.905 . . . . 0.0 110.091 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.15 154.34 39.14 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.334 -0.854 . . . . 0.0 109.493 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -73.32 67.83 1.02 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.314 -0.866 . . . . 0.0 109.227 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 18.8 tt0 -101.52 -149.52 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.658 -0.651 . . . . 0.0 109.682 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 66.7 mmtt -70.05 -32.41 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.777 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -60.42 -40.07 89.7 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.524 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -64.64 -45.1 88.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.121 -0.987 . . . . 0.0 108.901 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -91.95 81.09 5.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.176 -0.953 . . . . 0.0 108.818 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -70.03 -26.71 64.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.451 -0.78 . . . . 0.0 110.034 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -60.64 -40.32 91.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.12 88.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -60.55 -43.79 96.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.28 -0.887 . . . . 0.0 109.722 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.56 -44.88 95.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.669 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -67.27 -40.26 86.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 0.0 110.591 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.0 -40.49 97.92 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.232 -0.917 . . . . 0.0 109.933 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.27 4.37 44.14 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 52.61 46.49 26.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.0 110.433 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 mt -118.21 150.99 48.64 Favored Pre-proline 0 N--CA 1.506 2.332 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.4 Cg_endo -71.48 151.47 59.2 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.215 1.277 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.85 -18.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.076 1.851 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 76.0 t -60.01 -51.07 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 111.066 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.2 -42.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.874 -1.141 . . . . 0.0 109.534 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.42 99.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.083 -1.011 . . . . 0.0 109.716 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.11 -40.1 92.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.249 -0.907 . . . . 0.0 110.301 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -60.07 -39.83 87.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.847 -1.158 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' A' ' 22' ' ' MET . 12.1 mt -64.64 -40.19 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 108.252 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.64 -40.12 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.432 -0.793 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.23 76.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.775 . . . . 0.0 109.567 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.1 m -72.38 -38.83 68.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.633 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.65 112.32 9.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -60.3 -40.18 89.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.52 -0.737 . . . . 0.0 110.114 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.83 -45.09 93.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.74 -34.67 52.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.941 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.432 -178.42 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.412 0.625 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.45 -40.36 90.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 0.0 110.352 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 0.6 OUTLIER -61.73 -50.36 72.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.892 -1.13 . . . . 0.0 109.409 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.11 -36.91 84.11 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.88 -39.9 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -1.11 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -60.52 -47.72 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.098 -1.001 . . . . 0.0 109.981 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.86 -40.09 75.98 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.89 73.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.507 -0.745 . . . . 0.0 110.075 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.78 132.09 51.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 109.151 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -147.73 -165.0 2.14 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.157 -0.964 . . . . 0.0 110.124 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.84 155.44 38.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.544 -0.722 . . . . 0.0 109.256 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -74.06 68.27 1.38 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.316 -0.865 . . . . 0.0 109.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 20.2 tt0 -101.64 -149.74 0.39 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.554 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 66.2 mmtt -70.07 -32.15 70.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.396 -0.815 . . . . 0.0 109.779 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.71 -40.28 87.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.971 -1.081 . . . . 0.0 109.596 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.11 -40.23 88.95 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.883 -1.136 . . . . 0.0 108.556 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -64.17 -45.6 87.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.131 -0.981 . . . . 0.0 109.048 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -91.86 81.17 5.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.15 -0.969 . . . . 0.0 108.836 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -70.27 -25.76 63.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.328 -0.857 . . . . 0.0 110.307 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -61.23 -40.1 92.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.143 -0.973 . . . . 0.0 109.675 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.06 88.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.8 ttm -60.93 -44.13 97.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.507 -0.746 . . . . 0.0 109.546 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.48 -44.8 95.52 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.412 -0.805 . . . . 0.0 109.637 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -67.59 -40.03 84.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.663 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -63.02 -40.1 96.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.169 -0.957 . . . . 0.0 109.846 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.38 4.03 43.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.26 -0.9 . . . . 0.0 110.211 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 53.1 45.53 28.53 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.209 -0.932 . . . . 0.0 110.44 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 39.4 mt -117.31 150.77 46.98 Favored Pre-proline 0 N--CA 1.503 2.219 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.7 Cg_endo -71.5 150.46 57.68 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 121.372 1.382 . . . . 0.0 111.133 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -41.24 -18.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.183 1.922 . . . . 0.0 112.372 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -59.99 -50.86 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.779 -1.201 . . . . 0.0 110.961 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -68.89 -42.95 82.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 120.953 -1.092 . . . . 0.0 109.329 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.33 99.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.058 -1.026 . . . . 0.0 109.636 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.84 -39.59 89.64 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.148 -0.97 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -60.27 -40.04 88.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.864 -1.148 . . . . 0.0 109.514 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' B' ' 22' ' ' MET . 10.5 mt -64.06 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.92 -39.99 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.458 -0.777 . . . . 0.0 108.923 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.401 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.46 -33.1 73.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.625 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -72.78 -38.9 67.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.7 112.98 10.32 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 109.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.49 -40.27 90.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.453 -0.779 . . . . 0.0 109.96 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.67 -45.47 91.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.333 -0.855 . . . . 0.0 110.465 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -77.58 -34.42 53.61 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.729 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.2 tt0 . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.227 -0.921 . . . . 0.0 110.486 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 55.4 m-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.534 0.683 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.23 -41.7 93.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.765 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.08 -45.18 86.32 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.035 -1.041 . . . . 0.0 109.983 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.91 96.64 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.57 -40.02 83.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.584 -0.951 . . . . 0.0 110.164 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.2 -45.53 92.86 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.047 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.63 -40.45 76.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.032 -1.043 . . . . 0.0 109.066 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.09 74.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.558 -0.713 . . . . 0.0 110.748 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.16 124.37 20.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.098 -1.001 . . . . 0.0 110.007 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -149.55 -163.98 1.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.788 . . . . 0.0 109.467 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -70.99 152.93 43.08 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.333 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 75.1 t60 -64.47 75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 110.08 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 43.3 mt-10 -92.58 -169.78 2.3 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.706 0.765 . . . . 0.0 109.719 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.22 -27.22 65.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.739 -0.6 . . . . 0.0 109.598 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -58.78 -30.75 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.208 -0.932 . . . . 0.0 110.075 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -60.26 -40.08 89.05 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.696 -1.253 . . . . 0.0 108.783 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.6 p -63.12 -39.76 95.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -91.67 83.1 5.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 109.381 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -69.83 -26.82 64.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.05 -1.031 . . . . 0.0 109.672 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -40.59 92.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 0.0 109.562 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.67 97.52 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.189 -0.944 . . . . 0.0 109.534 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 36' ' ' ILE . 41.3 ttm -62.44 -46.09 90.11 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.367 -0.833 . . . . 0.0 109.754 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.01 -40.37 96.2 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.272 -0.893 . . . . 0.0 108.988 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.504 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -62.56 -40.32 96.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.052 . . . . 0.0 110.495 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.42 -2.78 26.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.5 m-20 53.69 50.1 17.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.409 -0.807 . . . . 0.0 110.729 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.73 149.54 46.61 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.319 -0.863 . . . . 0.0 109.517 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 51.1 Cg_exo -48.45 140.32 21.36 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.463 1.442 . . . . 0.0 110.99 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.76 -15.74 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.496 1.464 . . . . 0.0 111.599 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 71.4 t -60.09 -50.69 79.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.883 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.37 -45.39 96.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.898 -1.126 . . . . 0.0 109.674 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.64 96.81 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -62.68 -40.25 96.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.975 -1.078 . . . . 0.0 110.144 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.58 -40.14 95.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.861 -1.149 . . . . 0.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.438 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.2 mt -61.44 -43.69 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.041 -1.037 . . . . 0.0 109.314 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.57 -40.37 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.0 68.71 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.444 0.64 . . . . 0.0 109.696 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -70.68 -39.33 73.59 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.388 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.79 111.59 7.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.066 -1.021 . . . . 0.0 108.57 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -59.85 -40.38 88.37 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.265 -0.897 . . . . 0.0 110.652 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -59.79 -39.24 84.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.033 -1.042 . . . . 0.0 109.852 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -74.24 -34.88 63.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.093 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -178.456 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 64.6 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.287 0.565 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.17 -42.19 94.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.307 -0.871 . . . . 0.0 110.532 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.81 -45.79 88.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.136 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.52 95.94 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.61 -39.47 82.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.486 -1.008 . . . . 0.0 110.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.82 -47.11 87.85 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.954 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.03 -40.28 78.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 109.266 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -37.1 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.352 -0.842 . . . . 0.0 110.637 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.36 125.35 23.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.072 -1.017 . . . . 0.0 109.765 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -151.01 -165.18 2.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.44 -0.787 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 13' ' ' GLU . 45.4 mt-10 -70.16 151.48 45.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.479 -0.763 . . . . 0.0 109.67 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 73.1 t60 -63.71 74.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.025 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' GLU . 44.2 mt-10 -92.08 -168.63 2.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.83 -26.23 64.13 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.291 0.567 . . . . 0.0 109.848 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.22 -31.01 68.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.219 -0.926 . . . . 0.0 109.981 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.69 -39.47 88.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.702 -1.249 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -63.66 -40.17 96.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.038 -1.039 . . . . 0.0 109.359 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -91.46 83.43 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.37 -0.831 . . . . 0.0 109.228 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -70.39 -26.22 63.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.117 -0.989 . . . . 0.0 109.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.49 -40.46 91.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.592 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.7 98.25 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.142 -0.973 . . . . 0.0 109.105 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.443 ' SD ' HD12 ' B' ' 36' ' ' ILE . 43.2 ttm -61.76 -47.25 86.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.551 -0.718 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.4 -40.51 97.4 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.873 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t -67.58 -40.63 84.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 109.773 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 110.488 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -103.16 -3.89 25.18 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.171 -0.956 . . . . 0.0 110.038 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.72 49.88 18.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.43 -0.794 . . . . 0.0 110.642 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -117.97 149.71 45.95 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.282 -0.886 . . . . 0.0 109.431 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 31' ' ' VAL . 52.0 Cg_exo -47.97 140.02 19.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.23 1.286 . . . . 0.0 111.127 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.89 -15.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.456 1.437 . . . . 0.0 111.534 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' B' ' 29' ' ' PRO . 66.2 t -59.77 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.332 -0.855 . . . . 0.0 110.945 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.8 -45.61 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.892 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 110.1 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.83 -39.8 95.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.972 -1.08 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -62.24 -40.04 94.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.992 -1.068 . . . . 0.0 109.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.9 mt -62.7 -41.61 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.008 -1.058 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.64 -40.12 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.29 70.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.516 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -70.16 -39.32 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.533 -0.73 . . . . 0.0 109.814 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.5 112.7 8.79 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.911 -1.118 . . . . 0.0 108.675 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.456 -0.777 . . . . 0.0 110.944 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -60.73 -39.4 88.5 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.024 -1.047 . . . . 0.0 109.801 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.66 -34.69 65.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 110.158 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 110.564 -178.373 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.97 -40.33 92.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.457 -0.777 . . . . 0.0 110.267 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 23.9 p-10 -65.02 -48.26 74.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.137 -0.977 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' ASP . . . -55.47 -36.75 64.54 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.93 -39.83 85.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.422 -1.046 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -59.9 -47.25 86.54 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.482 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.49 -40.5 76.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.099 -1.0 . . . . 0.0 109.494 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.67 75.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.72 -0.613 . . . . 0.0 110.053 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.76 141.75 56.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.18 -0.95 . . . . 0.0 109.641 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.96 -176.9 4.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.425 -0.797 . . . . 0.0 109.905 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.33 158.09 12.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 110.081 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 71.6 t60 -77.62 73.75 4.19 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.208 -0.932 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -98.82 -160.86 0.83 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.545 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.37 -26.25 64.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 108.892 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -59.89 -37.95 80.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 108.756 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 0.0 108.851 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.6 p -61.2 -41.92 97.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.056 -1.028 . . . . 0.0 108.814 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -97.79 91.53 5.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.384 -0.823 . . . . 0.0 109.195 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -72.91 -24.74 60.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.115 -0.991 . . . . 0.0 109.874 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.4 -41.94 94.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.3 78.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.09 -41.15 99.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.0 109.9 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.01 96.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.296 -0.877 . . . . 0.0 108.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -69.06 -40.05 78.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.782 . . . . 0.0 109.715 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.26 -40.21 93.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.141 -0.974 . . . . 0.0 110.911 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.16 3.72 43.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.106 -0.996 . . . . 0.0 109.694 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m120 53.18 44.64 29.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.817 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.87 151.63 44.92 Favored Pre-proline 0 N--CA 1.501 2.111 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.27 160.01 51.05 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.734 1.623 . . . . 0.0 110.637 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.07 -19.33 26.23 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.125 1.883 . . . . 0.0 111.614 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.71 -50.76 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.866 -1.146 . . . . 0.0 109.948 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.49 -45.47 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.907 -1.121 . . . . 0.0 109.116 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.16 92.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.552 -0.718 . . . . 0.0 109.709 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.26 -40.04 94.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.045 -1.034 . . . . 0.0 109.833 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.1 tm-20 -61.08 -42.04 97.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.833 -1.167 . . . . 0.0 109.978 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.96 -40.77 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 0.0 108.421 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -40.39 87.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.549 -0.719 . . . . 0.0 109.076 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.99 67.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.55 -0.719 . . . . 0.0 110.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.1 m -71.98 -34.91 69.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 109.803 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -73.93 114.92 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.039 -1.038 . . . . 0.0 109.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.251 -0.906 . . . . 0.0 110.485 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.14 -40.57 90.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 110.125 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -78.52 -29.86 46.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.075 -1.015 . . . . 0.0 109.825 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.457 -0.777 . . . . 0.0 110.013 -178.737 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.397 0.618 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.87 -40.05 91.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 110.163 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 24.4 p-10 -65.64 -47.99 73.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.249 -0.907 . . . . 0.0 110.466 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -55.6 -36.72 65.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.89 -39.76 85.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.394 -1.063 . . . . 0.0 110.289 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -59.8 -47.78 84.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.152 -0.967 . . . . 0.0 109.44 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.17 -40.9 77.84 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.117 -0.989 . . . . 0.0 109.411 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.84 -36.1 75.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.281 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.97 141.57 57.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 109.531 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.03 -176.74 4.29 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.62 0.724 . . . . 0.0 110.197 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.64 157.18 15.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 110.036 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.4 t60 -76.38 73.1 3.15 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -98.62 -161.1 0.85 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.43 -0.794 . . . . 0.0 109.789 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.26 -26.4 64.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.257 -0.902 . . . . 0.0 109.075 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.46 -38.42 80.73 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.34 -0.85 . . . . 0.0 108.979 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.7 p -61.6 -41.98 98.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.915 -1.116 . . . . 0.0 108.775 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -97.5 90.53 5.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.368 -0.832 . . . . 0.0 109.357 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -71.94 -24.92 61.7 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.994 -1.066 . . . . 0.0 109.905 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -60.62 -41.34 94.64 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.192 -0.942 . . . . 0.0 109.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.72 76.46 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.184 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.9 -40.72 98.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.276 -0.89 . . . . 0.0 109.999 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.18 93.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.7 t -69.82 -40.07 76.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.335 -0.853 . . . . 0.0 109.647 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.91 -40.43 93.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.405 -0.809 . . . . 0.0 110.794 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.24 3.6 43.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.131 -0.98 . . . . 0.0 109.531 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m120 53.51 44.56 29.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 109.646 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 mt -114.03 151.45 44.88 Favored Pre-proline 0 N--CA 1.5 2.046 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.91 160.32 50.1 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.66 1.574 . . . . 0.0 110.617 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.45 -18.85 26.71 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.095 1.863 . . . . 0.0 111.655 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.19 -50.35 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.004 -1.06 . . . . 0.0 109.981 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.68 -45.17 81.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.101 -0.999 . . . . 0.0 108.989 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.34 92.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.514 -0.741 . . . . 0.0 109.923 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.86 -40.22 96.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 109.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.7 tm-20 -60.78 -41.79 96.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.961 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.63 -39.98 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 108.622 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.58 -40.94 90.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.21 68.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.461 -0.775 . . . . 0.0 110.074 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 66.4 m -71.85 -35.17 69.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 0.0 109.804 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -73.31 114.65 11.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 109.029 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.55 -40.53 91.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.419 -0.801 . . . . 0.0 110.304 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.08 -40.13 88.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.069 -1.019 . . . . 0.0 110.32 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -78.59 -30.23 46.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.778 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.341 -0.85 . . . . 0.0 109.853 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.565 0.698 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.89 -40.0 91.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.381 -0.824 . . . . 0.0 110.513 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.27 -39.96 93.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.976 -1.078 . . . . 0.0 110.552 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.73 93.6 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.0 mt -67.93 -40.19 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.588 -0.948 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -61.0 -44.6 97.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.031 -1.043 . . . . 0.0 109.371 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.56 -39.96 77.1 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.119 -0.988 . . . . 0.0 108.507 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.88 67.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.536 -0.727 . . . . 0.0 109.893 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.5 tt0 -61.35 140.12 58.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.0 110.01 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.66 166.93 13.69 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLU . 46.1 mt-10 -51.09 148.99 3.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.088 -1.007 . . . . 0.0 110.224 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 74.9 t60 -63.59 72.58 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.468 -0.77 . . . . 0.0 109.919 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLU . 99.1 mt-10 -88.85 -167.61 1.93 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.266 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.06 -24.79 63.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.379 -0.826 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.02 -32.22 70.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.293 -0.879 . . . . 0.0 110.148 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -60.04 -39.93 87.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.591 -1.318 . . . . 0.0 109.035 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -61.62 -40.57 95.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.0 108.885 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.59 82.87 4.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.363 -0.836 . . . . 0.0 108.91 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.99 -26.85 64.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 0.0 109.718 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.78 -41.1 94.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 0.0 110.29 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.92 99.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.189 -0.944 . . . . 0.0 109.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 50.1 ttp -65.45 -40.67 93.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.632 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.26 96.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.052 -1.03 . . . . 0.0 109.392 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.4 m -67.85 -40.34 83.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.385 -0.822 . . . . 0.0 110.562 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -61.2 -40.21 93.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 110.011 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -98.27 0.49 45.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.407 -0.808 . . . . 0.0 109.648 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 53.75 47.84 22.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.799 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.41 151.53 48.2 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.82 160.07 51.17 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.551 1.5 . . . . 0.0 110.716 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.15 -17.59 15.45 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.375 2.05 . . . . 0.0 111.907 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -49.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 120.581 -1.324 . . . . 0.0 110.007 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.01 -44.71 81.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.991 -1.068 . . . . 0.0 109.175 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.83 97.64 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.22 -39.87 94.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 0.0 109.636 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 7.1 tm-20 -61.78 -40.73 96.21 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.002 -1.061 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.83 -40.05 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.026 -1.046 . . . . 0.0 108.346 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.09 -39.96 85.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.46 -30.88 69.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.439 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.5 m -72.27 -39.89 68.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.579 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.3 t -75.62 109.78 9.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.978 . . . . 0.0 108.77 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.19 -39.96 88.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.383 -0.823 . . . . 0.0 110.846 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -40.02 89.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 61.1 m -75.94 -32.26 59.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.0 . . . . 0.0 109.857 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.365 -0.835 . . . . 0.0 110.998 -177.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.541 0.686 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.97 -40.08 92.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.493 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -65.07 -39.97 94.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 110.541 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.86 93.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.2 mt -67.99 -40.07 82.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.714 -0.874 . . . . 0.0 110.258 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.04 -44.79 96.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.01 -1.056 . . . . 0.0 109.339 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.37 -39.99 77.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.192 -0.943 . . . . 0.0 108.492 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.99 -29.91 67.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.533 -0.729 . . . . 0.0 109.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -61.44 140.06 58.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.997 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.64 166.96 13.72 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 13' ' ' GLU . 46.4 mt-10 -51.15 148.64 4.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.116 -0.99 . . . . 0.0 110.226 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.0 t60 -63.27 72.29 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 109.905 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' B' ' 11' ' ' GLU . 99.3 mt-10 -88.42 -167.68 1.96 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.388 -0.82 . . . . 0.0 109.317 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.03 -24.83 63.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.355 -0.841 . . . . 0.0 109.385 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -59.96 -32.34 70.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 110.208 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -59.99 -40.08 87.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.627 -1.295 . . . . 0.0 108.964 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -61.64 -40.31 94.44 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.996 -1.065 . . . . 0.0 108.899 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.55 82.82 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.317 -0.865 . . . . 0.0 108.785 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.96 -26.73 64.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.02 -40.95 95.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.983 . . . . 0.0 110.237 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.14 99.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.945 . . . . 0.0 109.738 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.3 ttp -65.32 -40.62 93.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.325 -0.859 . . . . 0.0 109.545 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.36 96.37 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.947 . . . . 0.0 109.418 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.1 m -67.73 -40.44 84.2 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.624 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -40.33 93.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.149 -0.97 . . . . 0.0 109.981 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -98.3 0.64 45.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.366 -0.834 . . . . 0.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 53.75 47.46 23.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.12 151.36 47.57 Favored Pre-proline 0 N--CA 1.498 1.961 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.85 160.01 51.46 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.609 1.539 . . . . 0.0 110.781 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.09 -17.49 14.86 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.423 2.082 . . . . 0.0 112.042 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -49.9 82.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 120.705 -1.247 . . . . 0.0 110.011 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.36 -44.47 80.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.86 -1.15 . . . . 0.0 109.11 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.56 97.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.345 -0.847 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -64.31 -39.96 94.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.981 -1.074 . . . . 0.0 109.686 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 7.4 tm-20 -61.74 -40.5 95.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 109.904 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.08 -40.02 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.25 -39.88 85.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.88 69.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.579 -0.7 . . . . 0.0 109.554 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 70.9 m -72.24 -39.98 68.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.02 -1.05 . . . . 0.0 109.529 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.48 109.82 9.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 108.822 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.913 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.54 -39.97 89.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.0 109.927 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -75.91 -32.36 59.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.905 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 110.977 -178.027 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 52.2 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.497 0.665 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.52 -42.07 98.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 111.238 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.14 -49.49 77.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.807 -1.183 . . . . 0.0 110.968 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.16 88.16 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.6 mt -68.62 -40.99 82.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.47 -1.018 . . . . 0.0 110.224 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.62 -50.13 73.82 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 109.675 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -68.56 -40.12 80.76 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.204 -0.935 . . . . 0.0 108.829 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.98 76.13 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 0.0 109.924 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 30.5 tt0 -61.29 129.95 43.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.297 -0.877 . . . . 0.0 109.209 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.28 -166.89 2.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.528 -0.733 . . . . 0.0 109.334 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' GLU . 58.1 mp0 -70.58 158.79 35.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 108.817 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 73.0 t60 -65.01 70.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.657 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 11' ' ' GLU . 53.7 mt-10 -85.94 -165.67 1.31 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.374 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.08 -25.94 63.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 0.0 109.773 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.82 -35.95 75.79 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 109.324 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -60.5 -40.4 91.24 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.31 -47.52 83.93 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.748 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.92 87.11 5.67 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.307 -0.87 . . . . 0.0 109.02 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -70.9 -29.72 65.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.093 -1.004 . . . . 0.0 110.025 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.57 -40.04 90.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.975 . . . . 0.0 109.561 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.17 87.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.95 . . . . 0.0 109.819 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -63.18 -40.26 97.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.167 -0.958 . . . . 0.0 109.998 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.43 -42.22 98.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.971 -1.08 . . . . 0.0 109.368 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -67.65 -40.01 84.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 109.761 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.73 -40.33 91.99 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.484 -0.76 . . . . 0.0 109.8 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.03 0.72 38.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.381 -0.824 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.5 m120 53.51 45.97 27.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -115.45 153.45 47.65 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.58 159.43 53.56 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.34 1.36 . . . . 0.0 110.643 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.88 -20.64 18.34 Favored 'Trans proline' 0 C--N 1.299 -2.029 0 C-N-CA 122.052 1.835 . . . . 0.0 111.821 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.73 -57.61 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.969 -1.082 . . . . 0.0 109.504 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.65 -48.48 87.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.424 -0.797 . . . . 0.0 109.284 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.28 -49.48 77.42 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.387 -0.821 . . . . 0.0 109.899 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.3 -40.41 96.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.932 -1.105 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.7 tm-20 -60.49 -40.96 93.24 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.991 -1.068 . . . . 0.0 110.185 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.68 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.774 -1.204 . . . . 0.0 108.727 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 33' ' ' ALA . 49.7 t -67.79 -39.39 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -30.2 69.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.391 -0.818 . . . . 0.0 109.936 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.402 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 57.8 m -71.57 -32.9 68.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 109.285 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.36 114.6 12.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -40.28 92.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.901 . . . . 0.0 111.142 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.281 -0.887 . . . . 0.0 109.888 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.444 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 95.9 m -72.27 -31.34 65.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.468 -178.189 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.3 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.41 0.624 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.46 -42.83 96.99 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.685 -0.634 . . . . 0.0 111.268 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.76 -49.77 76.15 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.051 . . . . 0.0 111.096 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.09 92.69 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.0 -42.02 88.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.639 -0.918 . . . . 0.0 110.339 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.74 -50.0 75.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.102 -0.999 . . . . 0.0 109.627 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.71 -39.94 80.23 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.139 -0.976 . . . . 0.0 108.844 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.71 75.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.538 -0.726 . . . . 0.0 110.029 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.19 129.93 43.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.132 -0.98 . . . . 0.0 109.344 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -151.38 -167.08 2.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 109.507 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 13' ' ' GLU . 56.4 mp0 -70.17 157.46 37.58 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.497 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.8 t60 -64.29 70.01 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.216 -0.927 . . . . 0.0 109.852 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.2 mt-10 -85.49 -166.33 1.48 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 109.434 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.22 -25.63 63.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -59.52 -36.14 75.52 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.203 -0.936 . . . . 0.0 109.208 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -60.68 -40.24 91.42 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.923 -1.111 . . . . 0.0 108.944 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -63.29 -45.25 92.31 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.789 -1.194 . . . . 0.0 108.78 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -94.16 86.18 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -70.92 -29.13 65.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.0 109.785 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.47 -40.01 92.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.216 -0.928 . . . . 0.0 109.624 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.5 93.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.097 -1.002 . . . . 0.0 109.73 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.7 ttp -64.2 -40.19 95.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.878 . . . . 0.0 109.91 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.08 97.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.031 -1.043 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -68.07 -40.2 82.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.434 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.48 -40.82 92.67 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.462 -0.774 . . . . 0.0 110.021 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -101.09 1.22 39.13 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.505 -0.747 . . . . 0.0 110.034 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 52.82 47.54 24.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.139 -0.975 . . . . 0.0 109.818 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 mt -116.52 152.81 48.64 Favored Pre-proline 0 N--CA 1.498 1.967 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.06 158.91 56.03 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.364 1.376 . . . . 0.0 110.636 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.43 -20.69 16.2 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.151 1.901 . . . . 0.0 111.831 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.38 -58.13 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.785 -1.197 . . . . 0.0 109.588 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.45 -48.78 86.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.379 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.21 -48.74 80.44 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.241 -0.912 . . . . 0.0 109.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -63.17 -39.76 95.57 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.905 -1.122 . . . . 0.0 109.729 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.61 -41.26 94.44 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.968 -1.082 . . . . 0.0 110.188 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.67 -40.33 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.914 -1.116 . . . . 0.0 108.57 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 33' ' ' ALA . 59.7 t -68.05 -39.8 82.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.67 71.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.7 m -71.25 -33.49 69.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.125 -0.984 . . . . 0.0 109.408 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.1 113.97 11.9 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.212 -0.93 . . . . 0.0 108.597 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.6 -40.35 91.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.33 -0.856 . . . . 0.0 110.783 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.33 -39.36 86.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 109.714 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 94.4 m -72.55 -32.76 66.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.113 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.499 -178.018 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 61.4 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.484 0.659 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.17 -40.32 93.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.529 -0.732 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.13 -47.81 84.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.215 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -36.19 92.51 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.75 -40.55 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.593 -0.945 . . . . 0.0 110.036 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.98 -47.61 85.11 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.95 -1.094 . . . . 0.0 109.521 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -69.97 -40.28 75.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.157 -0.964 . . . . 0.0 109.801 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.22 70.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 0.0 110.036 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.88 136.13 57.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.909 . . . . 0.0 109.605 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.34 169.66 6.21 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.19 170.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.007 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 77.1 t60 -74.53 67.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 122.006 0.908 . . . . 0.0 109.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -71.76 173.17 8.56 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.53 -23.97 65.5 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.076 -1.015 . . . . 0.0 108.704 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -59.09 -27.18 65.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.032 -1.043 . . . . 0.0 109.707 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.88 -39.9 86.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 108.882 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.2 p -61.87 -40.24 94.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.864 -1.147 . . . . 0.0 109.177 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.07 83.17 4.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.255 -0.903 . . . . 0.0 109.599 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -71.56 -27.08 62.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.291 -0.881 . . . . 0.0 111.008 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -60.25 -40.43 90.26 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.928 -1.107 . . . . 0.0 110.216 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.81 89.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.11 -0.994 . . . . 0.0 109.171 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.56 -46.22 91.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.424 -0.798 . . . . 0.0 109.625 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.02 -41.26 97.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.179 -0.951 . . . . 0.0 109.561 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -68.11 -40.31 82.57 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.5 -0.75 . . . . 0.0 110.157 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -40.02 95.49 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.157 -0.965 . . . . 0.0 110.329 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.0 1.7 36.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.208 -0.933 . . . . 0.0 110.237 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 54.01 49.32 19.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.033 -1.042 . . . . 0.0 109.064 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 80.8 mt -119.3 151.18 50.77 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.4 Cg_endo -68.72 149.69 73.54 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.652 1.568 . . . . 0.0 111.624 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -41.83 -21.77 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.195 1.93 . . . . 0.0 112.696 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -60.02 -50.09 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 111.028 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.31 -45.0 86.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.471 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.3 94.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.208 -0.932 . . . . 0.0 110.355 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.31 -40.07 93.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.954 -1.091 . . . . 0.0 110.091 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.58 -40.9 93.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.038 . . . . 0.0 109.795 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.33 -40.16 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.1 -1.0 . . . . 0.0 108.609 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.18 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.665 -0.647 . . . . 0.0 110.323 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -74.69 -32.34 62.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.064 . . . . 0.0 110.15 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -75.74 113.2 12.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.952 -1.093 . . . . 0.0 108.923 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -61.01 -39.5 89.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.295 -0.878 . . . . 0.0 110.339 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.45 -39.52 87.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.038 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 73.2 m -74.36 -32.42 62.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.893 -1.129 . . . . 0.0 109.746 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.929 . . . . 0.0 110.436 -178.056 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 58.9 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.424 0.631 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.34 -40.46 90.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.453 -0.78 . . . . 0.0 110.139 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.01 -49.01 79.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.997 . . . . 0.0 110.163 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.19 -36.13 89.81 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.46 -40.35 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.34 -1.094 . . . . 0.0 110.414 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.05 -47.49 85.63 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.828 -1.17 . . . . 0.0 109.197 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.76 -40.39 76.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.126 -0.984 . . . . 0.0 109.931 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.39 68.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.316 -0.865 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.92 137.09 58.17 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.322 -0.861 . . . . 0.0 109.635 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -172.74 170.03 4.78 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -48.98 171.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.965 -1.085 . . . . 0.0 110.079 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.0 t60 -74.47 67.7 1.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.891 0.853 . . . . 0.0 109.192 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -71.91 173.1 8.78 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.63 -23.56 65.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.043 -1.036 . . . . 0.0 108.644 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -58.71 -27.98 65.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.119 -0.988 . . . . 0.0 109.809 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.64 -40.26 87.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.8 -1.188 . . . . 0.0 108.822 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.3 p -61.47 -40.25 93.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.887 -1.133 . . . . 0.0 109.017 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.74 83.09 3.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.077 -1.015 . . . . 0.0 109.766 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -70.94 -27.54 63.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 111.084 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.67 -40.05 90.65 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.76 -1.212 . . . . 0.0 110.306 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.06 89.42 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 108.78 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.2 ttm -60.74 -45.82 92.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.971 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.67 -41.08 98.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -0.949 . . . . 0.0 109.481 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -68.59 -39.97 80.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.567 -0.708 . . . . 0.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.31 -40.26 95.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.24 -0.913 . . . . 0.0 110.367 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.78 1.58 37.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 54.61 47.03 23.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.93 -1.106 . . . . 0.0 109.304 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 85.2 mt -117.47 150.8 47.26 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.3 Cg_endo -69.21 149.23 70.18 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.678 1.585 . . . . 0.0 111.803 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -40.92 -21.69 0.11 Allowed 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 122.112 1.875 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.6 -50.51 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.939 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.67 -44.86 85.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.524 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.59 95.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.043 -1.036 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -66.14 -39.97 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.915 -1.115 . . . . 0.0 109.982 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.4 tm-20 -60.89 -40.26 92.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 109.554 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.64 -39.98 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.817 -1.177 . . . . 0.0 108.531 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.34 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.13 66.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.699 -0.625 . . . . 0.0 110.352 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 56.0 m -73.87 -32.68 63.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.058 -1.026 . . . . 0.0 110.17 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.27 113.17 12.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 0.0 108.891 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.89 -39.88 90.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.85 . . . . 0.0 110.383 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.77 -39.92 86.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.933 . . . . 0.0 110.224 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 71.7 m -74.27 -32.93 63.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 0.0 110.428 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 56.4 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.344 0.592 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.51 -40.3 90.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.737 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 -53.3 52.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.0 110.69 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.74 -34.65 83.19 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 57.3 mt -68.08 -39.93 82.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.997 . . . . 0.0 110.017 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.06 -46.8 88.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 0.0 109.533 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.77 -40.11 79.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.026 -1.046 . . . . 0.0 108.881 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.37 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.626 -0.671 . . . . 0.0 109.751 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -60.86 136.97 58.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.35 -0.843 . . . . 0.0 109.255 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.92 -169.57 0.9 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.341 -0.849 . . . . 0.0 108.909 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 44.5 tt0 -63.62 149.95 45.29 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 109.884 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -64.93 77.11 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 109.596 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.4 mm-40 -88.61 -166.46 1.6 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.492 -0.755 . . . . 0.0 109.693 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.67 64.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.497 -0.752 . . . . 0.0 109.265 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -58.81 -34.16 71.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 109.458 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.885 -1.134 . . . . 0.0 109.206 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.63 -41.83 98.22 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.017 -1.052 . . . . 0.0 108.707 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.26 86.48 4.94 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -70.06 -28.68 65.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 0.0 110.16 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.36 -40.12 93.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.891 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.09 78.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.42 -41.6 98.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 109.616 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -66.54 -40.11 88.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.149 -0.97 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.78 -39.81 76.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.437 -0.79 . . . . 0.0 109.468 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.96 -41.29 91.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.361 -0.837 . . . . 0.0 109.45 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -99.78 -4.09 31.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.333 -0.855 . . . . 0.0 108.759 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 53.38 50.11 18.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.594 -0.691 . . . . 0.0 110.598 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.5 mt -116.08 147.05 38.47 Favored Pre-proline 0 N--CA 1.502 2.173 0 O-C-N 121.36 -0.837 . . . . 0.0 108.844 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.97 156.19 0.5 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.247 1.298 . . . . 0.0 110.931 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.42 -18.77 47.94 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.893 1.729 . . . . 0.0 110.779 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 HD11 ' B' ' 5' ' ' ILE . 95.1 t -59.98 -50.22 80.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 110.469 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.97 -49.94 79.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.771 -1.205 . . . . 0.0 108.739 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.87 82.49 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.448 -0.782 . . . . 0.0 109.683 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.64 -40.05 90.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.337 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -59.95 -44.48 94.37 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 109.744 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.71 -46.62 96.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.215 -0.928 . . . . 0.0 108.862 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.3 t -65.62 -40.01 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.185 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -69.84 -34.46 73.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.443 -0.786 . . . . 0.0 110.235 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.9 m -78.34 -26.16 46.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.061 -1.024 . . . . 0.0 109.852 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.46 116.9 12.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.98 -40.04 87.78 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.456 -0.778 . . . . 0.0 110.749 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.03 -39.14 84.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.094 -1.004 . . . . 0.0 109.208 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.35 -28.38 56.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 110.553 -178.09 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.2 m-85 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.4 0.619 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.63 -40.17 90.96 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.387 -0.821 . . . . 0.0 110.795 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -64.09 -52.97 56.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 110.624 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -34.76 84.39 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.892 -1.683 . . . . 0.0 108.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 9' ' ' GLN . 58.1 mt -68.05 -39.96 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.652 -0.911 . . . . 0.0 109.973 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.01 -46.72 88.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 109.581 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.0 -40.17 78.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.015 -1.053 . . . . 0.0 108.784 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.38 77.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.605 -0.685 . . . . 0.0 109.734 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.0 tt0 -60.73 137.01 58.23 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 109.327 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.91 -169.69 0.91 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 108.838 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 13' ' ' GLU . 44.5 tt0 -63.65 150.0 45.25 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.529 -0.732 . . . . 0.0 109.856 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -65.05 77.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.728 . . . . 0.0 109.601 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.9 mm-40 -88.57 -166.29 1.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.61 64.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.469 -0.77 . . . . 0.0 109.256 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -58.9 -34.16 71.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.8 p -63.52 -41.75 98.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.062 -1.024 . . . . 0.0 108.82 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.38 86.4 4.87 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -69.97 -28.74 65.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.41 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.89 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.04 79.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.221 -0.925 . . . . 0.0 109.726 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.53 -40.0 88.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.121 -0.987 . . . . 0.0 109.321 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.99 -39.88 75.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.38 -0.825 . . . . 0.0 109.486 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -99.74 -4.08 31.44 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.5 m-20 53.38 49.85 18.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -115.79 146.98 38.06 Favored Pre-proline 0 N--CA 1.502 2.174 0 O-C-N 121.385 -0.822 . . . . 0.0 108.934 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -45.87 156.0 0.5 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.375 1.383 . . . . 0.0 110.909 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.35 -18.88 47.97 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 121.915 1.744 . . . . 0.0 110.847 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 94.1 t -59.97 -50.33 80.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.482 -0.761 . . . . 0.0 110.486 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.7 -50.03 79.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.724 -1.235 . . . . 0.0 108.687 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.96 82.29 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.73 -39.91 90.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 0.0 109.224 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.01 -44.47 94.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.6 -46.58 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.117 -0.989 . . . . 0.0 108.969 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.194 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -69.92 -34.3 73.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.276 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -78.4 -26.25 46.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.077 -1.014 . . . . 0.0 109.871 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.48 116.97 12.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 108.422 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.03 -40.08 88.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.445 -0.784 . . . . 0.0 110.931 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -59.99 -39.05 84.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -76.34 -28.7 56.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 0.0 109.483 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.676 -178.125 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.216 0.531 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 90.4 mt -64.79 -40.8 95.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.975 . . . . 0.0 110.63 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.54 -40.35 92.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.928 -1.108 . . . . 0.0 109.986 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.48 -36.83 93.06 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.49 -40.13 83.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.417 -1.049 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.85 84.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.981 -1.075 . . . . 0.0 110.343 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.3 -40.18 77.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.086 . . . . 0.0 109.443 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.45 74.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.492 -0.755 . . . . 0.0 109.441 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.7 138.36 58.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.372 -0.83 . . . . 0.0 109.432 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 40.9 tt0 -169.98 164.33 9.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 108.836 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' GLU . 85.2 mt-10 -40.22 160.19 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.45 -0.781 . . . . 0.0 110.75 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 74.6 t60 -74.4 72.47 1.84 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.85 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -84.88 -172.59 4.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.565 -0.709 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -67.77 -28.28 67.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -57.69 -32.06 66.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.0 109.121 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -60.06 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 109.386 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -60.39 -40.71 91.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.921 -1.112 . . . . 0.0 109.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -99.75 92.38 5.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.346 -0.846 . . . . 0.0 109.634 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -73.46 -27.78 61.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.002 . . . . 0.0 109.988 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.04 -41.03 91.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.057 -1.027 . . . . 0.0 110.004 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.87 94.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.998 . . . . 0.0 109.132 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.59 -40.52 95.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.846 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.57 96.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.846 -1.158 . . . . 0.0 109.546 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -68.29 -40.09 81.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.11 -40.47 89.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 110.372 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -101.27 0.05 36.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.186 -0.946 . . . . 0.0 109.857 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 54.51 39.97 31.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.344 -0.848 . . . . 0.0 110.359 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.6 mt -106.89 150.74 40.13 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.6 Cg_endo -69.24 149.3 70.06 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 121.35 1.367 . . . . 0.0 111.308 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.27 -23.28 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.176 1.918 . . . . 0.0 112.423 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 92.4 t -57.11 -57.16 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.68 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.79 -44.37 98.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.081 -1.012 . . . . 0.0 109.047 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.61 -48.62 80.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.299 -0.876 . . . . 0.0 109.761 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.87 -39.97 93.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 110.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.27 -40.09 92.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.939 -1.1 . . . . 0.0 109.526 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.93 -40.0 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.8 -40.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.93 68.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -72.02 -38.13 69.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.75 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.66 113.27 11.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 108.925 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.71 -40.03 90.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.267 -0.895 . . . . 0.0 110.695 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -60.97 -39.99 91.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.287 -0.883 . . . . 0.0 110.685 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.53 -33.42 60.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.95 -1.094 . . . . 0.0 110.091 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.49 -178.464 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.221 0.534 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LEU . . . . . 0.448 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 90.4 mt -64.62 -40.8 96.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.921 . . . . 0.0 110.712 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.49 -40.22 92.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.899 -1.126 . . . . 0.0 110.031 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -36.92 92.99 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.26 -40.22 84.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.402 -1.058 . . . . 0.0 110.183 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.8 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.082 . . . . 0.0 110.307 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.43 -40.18 77.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.961 -1.087 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.5 74.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.479 -0.763 . . . . 0.0 109.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.58 138.43 58.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 109.437 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -170.0 164.47 9.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.419 -0.801 . . . . 0.0 108.908 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -40.33 160.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -74.28 72.2 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.468 -0.77 . . . . 0.0 109.85 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -84.59 -172.58 4.25 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.486 -0.759 . . . . 0.0 109.704 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -67.79 -28.3 67.48 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -57.69 -32.05 66.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.126 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.98 -40.19 88.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.998 -1.064 . . . . 0.0 109.336 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -60.25 -40.75 91.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.937 -1.102 . . . . 0.0 109.165 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -99.9 92.45 5.29 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.391 -0.818 . . . . 0.0 109.514 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -73.5 -27.62 61.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.059 -1.025 . . . . 0.0 110.02 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.07 . . . . 0.0 110.061 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.96 94.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.019 -1.051 . . . . 0.0 109.171 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.53 -40.58 95.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.731 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.879 -1.138 . . . . 0.0 109.587 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -68.41 -40.06 81.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.417 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.18 -40.35 89.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.437 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -101.43 0.27 36.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.269 -0.895 . . . . 0.0 109.77 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.43 40.02 31.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.438 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -107.0 150.79 40.25 Favored Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.0 Cg_endo -69.31 149.31 69.58 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 121.339 1.36 . . . . 0.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.2 -23.41 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.164 1.91 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 94.8 t -57.06 -57.16 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.962 . . . . 0.0 110.741 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.78 -44.44 98.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.087 -1.008 . . . . 0.0 109.077 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.52 80.53 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 0.0 109.785 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.9 -40.02 93.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 110.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.17 -40.13 92.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.042 -1.036 . . . . 0.0 109.586 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.99 -39.93 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.77 -40.0 87.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.09 68.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.593 -0.692 . . . . 0.0 109.684 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -71.81 -38.17 70.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.833 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -74.66 113.19 11.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.67 -40.09 90.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.215 -0.928 . . . . 0.0 110.599 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.95 -40.0 91.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 110.675 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -75.56 -33.5 60.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 110.007 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.195 -0.94 . . . . 0.0 110.48 -178.494 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.493 0.664 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.54 -39.98 93.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.542 -0.724 . . . . 0.0 110.437 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.42 -40.76 93.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.023 -1.048 . . . . 0.0 110.224 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.96 96.07 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.31 -40.11 85.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.691 -0.888 . . . . 0.0 110.331 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.02 -42.19 93.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.33 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.68 -40.0 76.64 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.89 -1.132 . . . . 0.0 108.661 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.66 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.369 0.604 . . . . 0.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.98 136.11 57.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 0.0 109.971 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -158.66 -151.27 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -80.93 157.94 25.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.111 -0.993 . . . . 0.0 109.704 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -78.29 72.88 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 108.884 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.34 -149.41 0.37 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.478 -0.764 . . . . 0.0 109.848 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.98 -32.77 71.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.456 -0.778 . . . . 0.0 109.838 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -60.07 -39.53 86.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.789 -1.195 . . . . 0.0 109.212 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -60.53 -42.79 97.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.856 -1.153 . . . . 0.0 109.192 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -96.11 88.59 4.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.153 -0.967 . . . . 0.0 109.4 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -69.95 -28.84 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.962 -1.086 . . . . 0.0 109.416 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.5 -40.36 91.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.98 . . . . 0.0 109.547 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.54 -43.84 96.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.386 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.67 98.9 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.34 -0.85 . . . . 0.0 109.198 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -40.1 80.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 109.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.88 -40.28 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.357 -0.839 . . . . 0.0 110.491 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.45 -0.63 34.92 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 56.36 41.44 29.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.534 -0.729 . . . . 0.0 110.049 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -113.27 151.04 43.98 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.1 Cg_endo -69.67 150.11 68.3 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.605 1.536 . . . . 0.0 111.841 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.25 -21.15 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.404 2.069 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -60.03 -50.01 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 111.157 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.51 -40.44 79.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.783 -1.198 . . . . 0.0 109.781 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.921 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -61.23 -38.79 87.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.098 -1.001 . . . . 0.0 110.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 109.681 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.88 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.864 -1.148 . . . . 0.0 108.516 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.33 -40.06 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -69.55 -37.71 77.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 109.464 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -72.0 -39.58 69.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.214 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.3 t -75.71 106.72 7.43 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -59.92 -39.73 86.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.482 -0.761 . . . . 0.0 110.463 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -59.94 -40.05 87.66 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.26 -0.9 . . . . 0.0 109.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.5 m -75.03 -36.94 61.87 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.768 -1.207 . . . . 0.0 109.812 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 0.0 110.576 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.586 0.708 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.73 -40.05 93.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.43 -0.794 . . . . 0.0 110.415 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.4 -40.97 94.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.254 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.35 -39.24 95.88 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -39.98 85.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.662 -0.905 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -59.99 -42.25 93.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.036 -1.04 . . . . 0.0 110.324 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 -40.0 76.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.843 -1.16 . . . . 0.0 108.647 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.79 75.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 110.289 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.86 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.328 -0.857 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -158.97 -151.06 0.26 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -80.88 158.24 25.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.022 -1.049 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -78.59 72.6 5.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 108.883 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -100.29 -149.4 0.37 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.462 -0.774 . . . . 0.0 109.866 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -70.05 -32.74 70.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.428 -0.795 . . . . 0.0 109.823 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -60.03 -39.76 87.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -60.0 -40.04 87.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.823 -1.173 . . . . 0.0 109.209 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.28 -42.68 95.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.841 -1.162 . . . . 0.0 109.199 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -96.31 88.77 4.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.128 -0.983 . . . . 0.0 109.282 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -70.06 -28.58 65.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.956 -1.09 . . . . 0.0 109.393 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -60.77 -40.19 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.98 94.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -60.55 -43.9 96.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.442 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.75 98.85 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 109.247 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.67 -39.94 80.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.01 -40.6 94.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.538 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.01 -0.78 35.85 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.341 -0.85 . . . . 0.0 110.184 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 56.48 41.45 28.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.955 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.24 150.9 43.77 Favored Pre-proline 0 N--CA 1.501 2.09 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.0 Cg_endo -69.6 150.23 68.9 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.657 1.571 . . . . 0.0 111.819 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -41.35 -21.06 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.279 1.986 . . . . 0.0 112.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.01 -50.03 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 111.207 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.48 -40.71 80.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 120.824 -1.172 . . . . 0.0 109.675 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.02 89.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -61.25 -38.62 87.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.085 -1.009 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -60.06 -41.51 92.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.892 -1.13 . . . . 0.0 109.576 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.83 -40.07 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.27 -39.96 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.487 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.62 -37.89 77.0 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.669 -0.645 . . . . 0.0 109.513 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -71.78 -39.66 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.194 -0.941 . . . . 0.0 109.252 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -75.69 106.84 7.47 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -60.05 -39.78 87.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.542 -0.724 . . . . 0.0 110.422 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 109.781 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.0 m -74.99 -37.06 61.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.778 -1.201 . . . . 0.0 109.819 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.595 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.597 0.713 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.44 -42.32 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.965 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 1.1 p30 -60.82 -47.77 84.86 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.179 -0.95 . . . . 0.0 110.573 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.99 -39.44 94.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.0 -39.82 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.713 -0.875 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 35.7 t0 -60.27 -48.11 83.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.278 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.12 -40.02 82.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.357 -0.839 . . . . 0.0 109.072 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.27 67.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.536 -0.727 . . . . 0.0 110.073 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.11 140.04 57.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.117 -0.99 . . . . 0.0 109.098 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -168.53 160.22 10.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 108.995 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -46.28 162.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.96 . . . . 0.0 109.898 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -74.95 79.6 2.17 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.729 . . . . 0.0 109.625 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.33 -160.17 0.78 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.566 -0.709 . . . . 0.0 109.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.86 -27.91 65.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 109.495 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.92 -38.43 82.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 109.394 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -60.23 -39.81 88.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.727 -1.233 . . . . 0.0 109.066 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -63.82 -41.09 97.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.822 -1.174 . . . . 0.0 109.171 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -96.06 83.31 3.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.003 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -70.13 -27.96 64.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.183 -0.948 . . . . 0.0 109.877 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.47 -40.58 91.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.996 -1.065 . . . . 0.0 109.813 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.37 97.02 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.147 -0.971 . . . . 0.0 109.819 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.9 ttp -60.91 -41.3 95.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.0 109.74 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.48 95.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.349 -0.844 . . . . 0.0 109.721 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -67.98 -39.81 83.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.868 . . . . 0.0 110.362 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.73 -39.76 89.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.897 . . . . 0.0 109.892 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -100.71 2.35 41.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.636 -0.665 . . . . 0.0 109.615 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 51.75 46.19 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.76 150.37 43.26 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' VAL . 44.1 Cg_endo -69.3 149.74 70.18 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.631 1.554 . . . . 0.0 111.218 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.86 -17.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.065 1.844 . . . . 0.0 112.602 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.6 t -60.29 -50.42 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.896 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.5 -42.52 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 120.824 -1.172 . . . . 0.0 109.079 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.93 95.51 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.616 -0.677 . . . . 0.0 109.647 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.55 -40.57 97.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.33 -40.35 93.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.982 -1.074 . . . . 0.0 109.219 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.43 -41.03 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 108.257 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.36 -40.26 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.476 -0.765 . . . . 0.0 109.076 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.51 68.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.391 -0.818 . . . . 0.0 109.744 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.3 m -72.96 -39.95 65.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 t -75.52 116.06 15.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.999 -1.063 . . . . 0.0 109.174 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -60.59 -40.12 90.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.142 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -60.66 -41.0 94.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 110.286 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 m -77.86 -28.66 50.1 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.148 -0.97 . . . . 0.0 109.976 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.215 -0.928 . . . . 0.0 110.574 -178.308 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.521 0.677 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.6 -42.3 96.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.066 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 1.2 p30 -60.61 -48.76 80.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 110.537 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.57 -39.14 92.83 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 74.0 mt -66.18 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.583 -0.951 . . . . 0.0 110.156 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -60.65 -46.56 89.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.21 -0.931 . . . . 0.0 109.346 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.91 -40.28 79.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.01 67.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.744 -0.597 . . . . 0.0 110.155 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.0 tt0 -60.04 138.82 57.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 109.149 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -167.47 160.9 13.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.482 -0.761 . . . . 0.0 109.19 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -46.81 162.09 0.05 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.273 -0.892 . . . . 0.0 109.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.75 78.32 2.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.478 -0.764 . . . . 0.0 109.869 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.45 -160.52 0.8 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.458 -0.776 . . . . 0.0 110.079 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -69.48 -27.9 65.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.19 -38.23 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.359 -0.838 . . . . 0.0 109.333 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -59.95 -39.92 87.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.867 -1.145 . . . . 0.0 109.024 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -64.55 -40.59 95.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.976 -1.077 . . . . 0.0 109.061 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -96.33 83.33 3.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -70.0 -28.66 65.69 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.96 . . . . 0.0 109.83 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.59 -40.2 90.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.174 -0.954 . . . . 0.0 109.764 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.06 97.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.769 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.2 ttp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 109.821 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.86 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.42 -0.8 . . . . 0.0 109.903 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -68.15 -40.19 82.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.409 -0.807 . . . . 0.0 110.254 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -60.85 -40.05 91.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -99.65 1.78 43.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.389 -0.819 . . . . 0.0 109.401 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 52.64 46.92 25.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -114.85 149.92 43.23 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.6 Cg_endo -68.71 149.61 73.53 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.589 1.526 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.15 -17.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.963 1.775 . . . . 0.0 112.476 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.1 t -60.23 -50.24 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.866 -1.146 . . . . 0.0 110.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.83 -42.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.004 -1.06 . . . . 0.0 108.798 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.69 92.84 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.57 -0.706 . . . . 0.0 109.715 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.66 -39.97 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.989 -1.069 . . . . 0.0 109.822 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.7 tm-20 -61.2 -40.52 94.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.884 -1.135 . . . . 0.0 109.128 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.52 -40.8 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.985 -1.072 . . . . 0.0 108.463 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.42 -39.9 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.449 -0.782 . . . . 0.0 109.208 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.47 68.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.445 -0.785 . . . . 0.0 109.713 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.412 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 59.9 m -72.37 -39.97 67.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 0.0 110.195 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.8 t -76.25 115.6 16.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.061 -1.025 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.22 -40.36 89.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -0.787 . . . . 0.0 110.476 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.3 -40.58 91.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.9 m -78.63 -29.06 45.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.041 -1.037 . . . . 0.0 110.061 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.346 -178.475 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.566 0.698 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.77 -40.42 92.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.614 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.24 -51.45 60.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.269 -0.895 . . . . 0.0 110.732 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.98 67.49 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.681 -1.767 . . . . 0.0 108.681 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -69.33 -40.3 79.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.536 -0.979 . . . . 0.0 109.423 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.97 -48.63 80.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.95 . . . . 0.0 109.898 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -66.8 -40.75 88.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.025 -1.047 . . . . 0.0 108.964 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.69 73.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.221 -0.924 . . . . 0.0 109.791 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -62.96 125.23 23.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 110.159 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -151.47 -165.39 2.23 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' GLU . 74.4 mm-40 -74.41 157.8 35.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 78.4 t60 -65.04 69.78 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.987 -1.071 . . . . 0.0 110.018 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 11' ' ' GLU . 22.3 tt0 -79.82 -179.92 7.2 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' H ' ' CG ' ' A' ' 13' ' ' GLU . 62.6 mttm -64.17 -26.21 68.42 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.051 -1.031 . . . . 0.0 109.325 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -59.92 -29.86 68.66 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.879 -1.138 . . . . 0.0 109.192 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.83 -37.48 79.31 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.1 p -59.75 -46.61 88.62 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.984 -1.073 . . . . 0.0 108.502 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -94.05 87.55 5.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 108.776 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -69.77 -26.2 64.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.109 -0.994 . . . . 0.0 109.519 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.47 -40.26 90.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 109.868 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.99 92.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.5 ttm -60.49 -45.09 95.06 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.174 -0.954 . . . . 0.0 109.151 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.23 -42.44 99.23 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.398 -0.814 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.3 t -68.47 -40.32 81.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.131 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.56 -40.05 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.424 -0.798 . . . . 0.0 110.133 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -101.84 3.05 38.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.454 -0.778 . . . . 0.0 109.706 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m120 55.37 42.68 29.9 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.299 -0.876 . . . . 0.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 73.8 mt -112.77 150.36 42.64 Favored Pre-proline 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -68.93 147.74 68.85 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.771 1.648 . . . . 0.0 111.801 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 -20.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 122.362 2.041 . . . . 0.0 112.315 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -59.76 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.451 -0.78 . . . . 0.0 110.695 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.86 -42.55 85.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.0 92.91 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.785 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.27 -39.95 92.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.58 -44.0 96.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.088 -1.007 . . . . 0.0 109.571 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.34 -40.17 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.63 -39.91 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.89 94.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.639 -0.663 . . . . 0.0 110.293 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -71.65 -38.89 70.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.03 -1.044 . . . . 0.0 109.571 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -75.67 102.87 5.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.985 -1.072 . . . . 0.0 108.642 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -60.81 -39.29 88.41 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.84 -0.538 . . . . 0.0 110.595 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.213 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.72 -61.51 1.81 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 110.826 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 111.47 -177.71 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.559 0.695 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -40.07 94.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.09 -51.12 63.26 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.51 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.66 73.51 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 108.521 -1.831 . . . . 0.0 108.521 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.2 mt -69.03 -40.09 80.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 O-C-N 121.696 -0.885 . . . . 0.0 109.735 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -49.28 78.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.122 -0.986 . . . . 0.0 109.452 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -65.89 -41.6 91.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.882 . . . . 0.0 109.015 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -35.7 73.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.749 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 64.0 tt0 -63.54 126.07 26.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.052 -1.03 . . . . 0.0 109.591 -178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -152.04 -166.5 2.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.466 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 13' ' ' GLU . 73.2 mm-40 -73.1 156.77 38.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.853 . . . . 0.0 109.008 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.4 t60 -64.94 70.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.708 -1.245 . . . . 0.0 109.96 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' B' ' 11' ' ' GLU . 19.7 tt0 -80.05 -179.47 7.04 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' B' ' 13' ' ' GLU . 60.7 mttm -64.55 -26.15 68.29 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.954 . . . . 0.0 109.307 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.16 -29.2 68.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.038 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.807 -1.183 . . . . 0.0 108.439 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -59.46 -47.3 86.03 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.946 -1.096 . . . . 0.0 108.725 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -93.84 88.06 5.63 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.048 -1.033 . . . . 0.0 108.823 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -70.0 -25.76 63.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 109.427 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.84 -39.81 90.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.91 91.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.986 -1.071 . . . . 0.0 109.097 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.39 -45.72 92.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 108.953 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.619 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -68.44 -40.42 81.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.495 -0.753 . . . . 0.0 110.353 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.92 -39.93 91.27 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.357 -0.839 . . . . 0.0 110.246 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -101.76 3.65 39.72 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.498 -0.752 . . . . 0.0 109.745 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m120 54.72 43.0 30.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 73.3 mt -113.13 150.36 42.84 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.87 148.17 63.78 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.371 1.381 . . . . 0.0 111.679 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -39.82 -20.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.374 2.049 . . . . 0.0 112.296 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.3 t -59.58 -50.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.165 -0.96 . . . . 0.0 110.807 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.77 -42.8 86.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.939 -1.101 . . . . 0.0 109.285 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.35 94.18 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.118 -0.989 . . . . 0.0 109.649 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.09 -39.81 91.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.98 -1.075 . . . . 0.0 110.135 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.67 -43.59 97.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.005 -1.059 . . . . 0.0 109.936 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.777 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.26 -39.89 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.72 93.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.667 -0.646 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -71.15 -39.57 71.86 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.667 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.7 103.05 5.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.096 -1.002 . . . . 0.0 108.452 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.825 -0.547 . . . . 0.0 110.668 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -58.74 -34.97 71.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.906 -1.121 . . . . 0.0 109.154 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.82 -61.9 1.68 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.17 -0.956 . . . . 0.0 110.92 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 N--CA 1.497 1.909 0 O-C-N 121.089 -1.007 . . . . 0.0 111.678 -177.732 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.08 -39.47 86.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 110.379 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.79 -42.21 99.6 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.506 -0.746 . . . . 0.0 110.713 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.78 96.64 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.95 -40.57 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.888 . . . . 0.0 110.593 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.24 -47.65 85.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 0.0 109.712 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -68.62 -40.1 80.5 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.239 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.44 82.17 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.588 -0.695 . . . . 0.0 110.653 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.65 136.27 56.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.989 -1.069 . . . . 0.0 109.991 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -162.11 -173.81 3.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.58 149.71 38.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -67.55 81.96 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.019 0.914 . . . . 0.0 108.799 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -97.06 -162.63 0.97 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.706 . . . . 0.0 109.217 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -68.11 -30.07 69.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.942 -1.099 . . . . 0.0 108.712 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -59.77 -35.16 74.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.597 -0.689 . . . . 0.0 110.029 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -60.57 -40.39 91.48 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.109 -0.994 . . . . 0.0 109.023 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -97.85 90.18 4.85 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -69.71 -28.64 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.707 -1.246 . . . . 0.0 109.026 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.18 -40.22 93.11 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.505 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.92 99.11 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.57 -1.331 . . . . 0.0 109.664 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.14 -40.23 95.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.847 -1.158 . . . . 0.0 109.623 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.25 98.35 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.184 -0.948 . . . . 0.0 109.404 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.03 -39.75 75.57 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.701 -0.625 . . . . 0.0 110.208 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -61.49 -39.85 92.45 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.12 -0.987 . . . . 0.0 109.66 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -99.6 1.31 43.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.538 -0.726 . . . . 0.0 109.69 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 52.64 48.89 21.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.621 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.1 mt -117.85 150.2 46.69 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.8 Cg_endo -70.14 149.07 63.95 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.544 1.496 . . . . 0.0 111.117 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -41.87 -21.04 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.045 1.83 . . . . 0.0 113.016 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.6 t -59.63 -50.61 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.543 -1.348 . . . . 0.0 110.363 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.06 -40.99 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.039 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.65 98.0 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.974 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -61.91 -39.87 93.49 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.121 -0.987 . . . . 0.0 109.891 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.88 -40.53 89.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.857 -1.152 . . . . 0.0 110.009 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.91 -40.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.46 -39.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.55 79.32 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.45 -0.781 . . . . 0.0 108.945 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 m -72.5 -40.1 67.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.066 -1.021 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 t -74.12 111.56 9.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.385 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.62 -40.13 93.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.076 -1.015 . . . . 0.0 110.251 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -59.62 -39.8 85.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.395 -0.815 . . . . 0.0 109.753 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -75.75 -33.5 60.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.008 -1.057 . . . . 0.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 N--CA 1.494 1.771 0 O-C-N 120.678 -1.264 . . . . 0.0 110.68 -178.673 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.32 -39.93 92.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.557 -0.715 . . . . 0.0 110.175 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.71 -44.25 96.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.549 -0.72 . . . . 0.0 110.109 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.76 97.54 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.85 -39.57 85.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.428 -1.042 . . . . 0.0 110.523 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.72 -49.92 75.87 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.258 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.19 -39.93 86.46 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.082 -1.011 . . . . 0.0 109.138 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.26 80.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.91 136.6 57.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.657 -1.277 . . . . 0.0 109.451 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -161.99 -172.97 3.46 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 35.7 tt0 -63.44 148.09 49.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.27 -0.894 . . . . 0.0 109.194 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -65.38 79.4 0.06 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.294 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 68.2 mt-10 -94.39 -161.66 0.87 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.575 -0.703 . . . . 0.0 109.126 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -68.82 -30.03 68.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.51 -0.744 . . . . 0.0 109.439 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -59.77 -35.18 74.09 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.426 -0.796 . . . . 0.0 109.764 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -60.16 -40.45 89.93 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.084 -1.01 . . . . 0.0 109.026 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -61.16 -40.88 95.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.451 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -97.74 88.84 4.42 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -69.51 -28.5 66.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.71 -39.75 89.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.712 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.3 98.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.863 -1.148 . . . . 0.0 109.684 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.3 ttp -64.32 -40.88 96.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.578 0.704 . . . . 0.0 109.36 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.0 -41.21 97.81 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.086 -1.009 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -68.55 -39.85 80.9 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.395 -0.816 . . . . 0.0 109.79 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.89 -40.03 94.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.688 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -99.69 0.52 42.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.462 -0.774 . . . . 0.0 109.501 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 23' ' ' ALA . 99.2 m-20 53.41 46.74 25.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.597 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -116.56 151.6 47.26 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.7 Cg_endo -71.24 149.38 57.41 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 121.165 1.244 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -41.91 -19.95 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 121.902 1.735 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.4 t -59.86 -50.61 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.598 -1.314 . . . . 0.0 110.71 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.44 -41.14 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 119.329 -0.948 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.68 98.11 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.506 -0.746 . . . . 0.0 110.147 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -61.37 -40.24 93.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.951 -1.093 . . . . 0.0 109.686 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.21 -41.03 92.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.761 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.62 -40.26 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.578 -1.327 . . . . 0.0 107.999 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.79 -39.89 87.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.66 -38.89 84.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.694 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -70.04 -39.92 75.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.033 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.52 109.91 7.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.966 -1.084 . . . . 0.0 109.094 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -60.41 -40.32 90.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 110.465 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.14 -37.59 80.55 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.03 -34.81 43.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.215 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 120.772 -1.205 . . . . 0.0 110.002 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.05 -40.34 76.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.646 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.43 -44.03 97.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.094 -1.004 . . . . 0.0 109.114 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.38 91.47 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 64.8 mt -65.44 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.52 -0.988 . . . . 0.0 109.61 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.01 -42.22 93.84 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.066 -1.022 . . . . 0.0 109.113 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.99 -41.58 74.21 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.95 67.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.523 -0.736 . . . . 0.0 110.432 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -60.07 139.76 57.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.931 . . . . 0.0 109.199 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -167.48 161.11 13.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.809 . . . . 0.0 109.419 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' GLU . 34.6 tt0 -43.86 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.792 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 77.5 t60 -69.08 73.05 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.523 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' GLU . 98.5 mt-10 -82.93 -176.57 6.39 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.644 -0.66 . . . . 0.0 109.343 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -67.35 -28.7 68.18 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -57.54 -29.53 64.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.513 -0.742 . . . . 0.0 109.218 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.03 -39.69 86.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 108.683 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -59.97 -41.65 92.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.117 -0.99 . . . . 0.0 109.024 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.18 91.6 4.83 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.293 -0.879 . . . . 0.0 109.008 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -71.19 -23.62 62.07 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.104 -0.997 . . . . 0.0 109.82 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 20' ' ' ARG . 44.2 mtm-85 -60.23 -40.32 89.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.45 85.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 109.672 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.5 ttp -63.62 -42.32 98.2 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -66.29 -39.98 89.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.153 -0.967 . . . . 0.0 109.131 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -69.15 -39.95 78.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.364 -0.835 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.31 -40.07 89.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -99.74 2.4 44.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.385 -0.822 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 52.36 45.18 28.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.395 -0.816 . . . . 0.0 109.964 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 52.7 mt -115.3 152.73 47.18 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.73 160.05 51.17 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 121.555 1.503 . . . . 0.0 110.443 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -55.96 -17.57 19.58 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.308 2.006 . . . . 0.0 111.821 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.8 -50.0 81.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.729 -1.232 . . . . 0.0 109.904 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -69.49 -43.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.031 -1.043 . . . . 0.0 109.15 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.16 86.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.349 -0.844 . . . . 0.0 110.043 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -61.7 -39.78 92.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.976 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -59.96 -40.39 88.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.12 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.75 -39.99 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 108.534 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.14 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.79 85.09 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.768 -0.582 . . . . 0.0 110.4 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -70.18 -38.55 75.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.084 -1.01 . . . . 0.0 109.747 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 t -75.11 104.09 5.54 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.047 -1.033 . . . . 0.0 108.472 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.05 -37.9 81.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.48 -0.762 . . . . 0.0 110.63 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.281 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.3 -56.15 7.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.927 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.359 -0.838 . . . . 0.0 110.787 -178.959 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.95 -40.4 88.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.308 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.98 . . . . 0.0 109.184 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -35.54 91.52 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.18 -38.7 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.546 -0.973 . . . . 0.0 109.6 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.96 -42.21 93.6 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.036 -1.04 . . . . 0.0 109.148 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.89 -41.8 74.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 108.963 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.2 67.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.573 -0.704 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.96 139.52 57.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.935 . . . . 0.0 109.32 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -167.24 161.21 14.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.487 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 13' ' ' GLU . 34.2 tt0 -43.8 158.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.494 -0.753 . . . . 0.0 109.805 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 77.4 t60 -68.93 73.12 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.561 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 11' ' ' GLU . 98.5 mt-10 -83.06 -176.49 6.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.532 -0.73 . . . . 0.0 109.318 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.42 -28.57 68.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.165 -0.959 . . . . 0.0 108.576 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -57.67 -29.49 64.67 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.532 -0.73 . . . . 0.0 109.204 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.99 -39.82 87.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 108.741 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -60.01 -41.44 92.12 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.138 -0.976 . . . . 0.0 108.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.25 91.7 4.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.913 . . . . 0.0 108.982 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -71.35 -23.13 61.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -60.63 -40.25 91.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.016 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.64 85.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.139 -0.976 . . . . 0.0 109.501 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -63.29 -42.47 99.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.354 -0.841 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -66.3 -40.11 89.79 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.062 -1.024 . . . . 0.0 109.056 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -68.77 -40.05 79.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.384 -0.823 . . . . 0.0 109.395 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.72 2.58 44.39 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.351 -0.843 . . . . 0.0 109.839 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 94.5 m-20 52.22 45.19 28.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.264 -0.898 . . . . 0.0 109.817 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 51.9 mt -115.35 152.75 47.25 Favored Pre-proline 0 N--CA 1.498 1.943 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.8 160.02 51.24 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 121.543 1.496 . . . . 0.0 110.528 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.84 -17.45 18.53 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.258 1.972 . . . . 0.0 111.939 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -49.96 81.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.676 -1.265 . . . . 0.0 109.841 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.54 -43.59 80.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.163 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.08 86.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.351 -0.843 . . . . 0.0 110.016 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.77 -39.73 92.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.026 -1.046 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.9 -40.5 89.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.885 -1.134 . . . . 0.0 109.101 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.66 -39.98 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.085 -1.009 . . . . 0.0 108.536 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.24 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.78 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.654 . . . . 0.0 110.323 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.7 m -70.32 -38.6 74.94 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.005 -1.06 . . . . 0.0 109.743 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -74.94 104.14 5.42 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.958 -1.089 . . . . 0.0 108.471 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.99 -38.06 81.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.437 -0.79 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -59.51 -39.12 82.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.328 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.47 -56.26 7.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 109.838 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.296 -0.877 . . . . 0.0 110.774 -178.904 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.559 0.695 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -40.02 95.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.455 -0.778 . . . . 0.0 109.921 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.11 -47.78 84.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.2 94.21 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.5 mt -65.74 -40.01 86.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.616 -0.932 . . . . 0.0 110.796 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.96 -49.76 76.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.88 -1.138 . . . . 0.0 109.365 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.53 -40.01 85.05 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.302 -0.874 . . . . 0.0 109.071 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.23 73.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -60.92 138.41 58.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 109.668 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 71.3 tt0 -170.53 165.24 8.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.569 -0.707 . . . . 0.0 109.264 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 10' ' ' GLU . 73.5 mm-40 -44.18 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.369 -0.832 . . . . 0.0 110.015 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -69.31 77.35 0.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.751 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.99 171.01 15.66 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.64 -0.662 . . . . 0.0 109.265 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.88 -27.57 68.31 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -57.93 -26.5 62.31 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.474 -0.766 . . . . 0.0 109.04 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -59.96 -40.12 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 108.652 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -63.17 -42.93 99.48 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.69 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.35 83.88 3.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.835 . . . . 0.0 108.875 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.443 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 60.4 p-90 -70.06 -26.97 64.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.733 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 56.5 mtt-85 -60.05 -40.83 90.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.971 -1.081 . . . . 0.0 109.661 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.03 79.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.0 109.273 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.9 ttp -62.54 -42.01 99.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.37 -0.831 . . . . 0.0 109.796 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.08 -1.012 . . . . 0.0 109.074 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.15 -40.02 78.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.453 -0.779 . . . . 0.0 109.533 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.2 -41.37 92.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.457 -0.777 . . . . 0.0 110.222 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.16 3.43 43.8 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.337 -0.852 . . . . 0.0 109.751 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.75 39.87 31.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 110.276 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.73 149.99 40.68 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.3 160.47 49.7 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.859 1.706 . . . . 0.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.55 -19.71 18.8 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.502 2.135 . . . . 0.0 111.866 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.76 -51.7 69.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.934 -1.104 . . . . 0.0 110.083 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.85 -43.63 82.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.135 -0.978 . . . . 0.0 108.883 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.72 95.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.372 -0.83 . . . . 0.0 109.813 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.69 -40.01 95.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.967 -1.083 . . . . 0.0 110.076 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.88 -41.8 96.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 109.984 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.26 -39.97 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 108.836 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.15 -39.91 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.35 83.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.661 -0.649 . . . . 0.0 110.615 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -70.99 -34.46 71.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.98 -1.075 . . . . 0.0 109.793 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.6 104.34 5.25 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.958 -1.089 . . . . 0.0 108.429 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.97 -39.15 84.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.563 -0.71 . . . . 0.0 110.368 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -59.91 -38.62 82.83 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.19 -0.944 . . . . 0.0 109.409 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -71.37 -50.03 36.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.069 . . . . 0.0 110.209 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 -179.225 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.553 0.692 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.81 -39.98 93.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.437 -0.789 . . . . 0.0 109.956 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.14 -47.8 84.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.905 . . . . 0.0 110.094 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.26 94.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.84 -39.98 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.566 -0.961 . . . . 0.0 110.668 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.93 -49.82 76.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.412 -0.805 . . . . 0.0 109.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.05 72.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.568 -0.708 . . . . 0.0 109.844 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.96 138.44 58.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 0.0 109.651 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 11' ' ' GLU . 71.7 tt0 -170.58 165.16 8.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.479 -0.763 . . . . 0.0 109.31 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 10' ' ' GLU . 73.8 mm-40 -44.17 166.57 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.275 -0.891 . . . . 0.0 109.899 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -69.2 77.3 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.963 . . . . 0.0 109.738 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.04 170.91 15.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.65 -0.657 . . . . 0.0 109.279 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.76 -27.79 68.56 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -57.78 -26.41 61.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.435 -0.791 . . . . 0.0 109.062 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.02 -40.25 88.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.088 . . . . 0.0 108.618 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -62.96 -43.07 99.8 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.219 -0.926 . . . . 0.0 108.657 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.34 83.85 3.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 108.89 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.449 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 60.5 p-90 -69.99 -27.03 64.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.082 -1.011 . . . . 0.0 109.753 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.449 ' NH1' ' CH2' ' B' ' 19' ' ' TRP . 56.0 mtt-85 -60.03 -40.86 90.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.026 . . . . 0.0 109.664 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.89 79.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.051 -1.03 . . . . 0.0 109.269 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.61 -42.0 99.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 0.0 109.791 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.81 98.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 109.141 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.19 -40.05 78.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.865 . . . . 0.0 110.418 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.05 3.33 44.05 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 109.868 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.77 40.06 31.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.526 -0.733 . . . . 0.0 110.232 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.3 mt -110.12 149.99 40.86 Favored Pre-proline 0 N--CA 1.499 1.99 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.17 160.43 49.89 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 121.9 1.733 . . . . 0.0 110.958 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.59 -19.68 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.488 2.126 . . . . 0.0 111.831 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.61 -51.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.021 -1.049 . . . . 0.0 110.176 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.72 -43.75 82.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.835 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.72 95.45 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.365 -0.834 . . . . 0.0 109.77 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.81 -39.94 95.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.93 -41.61 96.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 110.003 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.34 -39.98 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 108.841 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.17 -39.99 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.46 83.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -71.0 -34.5 71.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.958 -1.089 . . . . 0.0 109.808 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -74.61 104.35 5.26 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.047 -1.033 . . . . 0.0 108.447 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.95 -39.16 84.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.599 -0.688 . . . . 0.0 110.411 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -59.86 -38.82 83.23 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.469 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.3 -49.91 37.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 110.172 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.35 -0.844 . . . . 0.0 109.995 -179.225 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.501 0.667 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.4 -39.97 94.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.638 -0.664 . . . . 0.0 110.448 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.21 -40.68 96.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.22 -33.06 62.19 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.02 -39.83 85.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.623 -0.928 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.97 -40.87 90.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.85 -40.03 83.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.875 -1.141 . . . . 0.0 108.611 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -21.81 63.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.643 -0.66 . . . . 0.0 109.739 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -60.95 138.24 58.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 109.284 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 9' ' ' GLN . 34.5 tt0 -170.06 165.37 9.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 9.5 tp10 -57.54 145.08 34.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.634 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -57.09 78.98 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.566 -0.709 . . . . 0.0 109.855 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 4.6 tt0 -101.06 -153.97 0.47 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.425 -0.797 . . . . 0.0 109.415 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -69.97 -31.13 68.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.195 -0.941 . . . . 0.0 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -60.05 -39.77 87.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.666 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.01 -40.11 88.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.987 -1.071 . . . . 0.0 109.6 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.5 p -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.862 -1.149 . . . . 0.0 109.168 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -99.83 94.48 6.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.359 -0.838 . . . . 0.0 109.719 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -74.36 -25.33 59.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.36 -41.01 98.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.978 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.3 ttp -65.54 -40.07 92.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.484 -0.76 . . . . 0.0 109.888 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.67 95.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.047 -1.033 . . . . 0.0 108.919 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.96 75.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.434 -0.791 . . . . 0.0 110.072 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -61.13 -39.98 92.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 0.0 110.035 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -98.7 0.9 45.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.218 -0.926 . . . . 0.0 109.294 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 54.87 41.53 31.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.597 -0.689 . . . . 0.0 109.651 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.13 151.56 43.16 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.62 160.07 51.12 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.815 1.676 . . . . 0.0 111.082 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.48 -18.34 14.75 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.299 1.999 . . . . 0.0 111.412 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.97 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 110.71 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.4 -44.16 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.14 99.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.48 -0.763 . . . . 0.0 109.613 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -62.3 -40.01 94.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.05 . . . . 0.0 109.853 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -41.6 92.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.039 . . . . 0.0 110.138 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.3 -40.06 87.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.963 -1.086 . . . . 0.0 108.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.0 -39.92 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.04 71.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.468 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.65 -40.06 69.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.223 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -75.49 110.45 9.88 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 108.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -60.42 -40.05 89.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 110.62 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 110.115 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -75.98 -33.43 59.75 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.076 . . . . 0.0 109.743 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.272 -0.892 . . . . 0.0 110.851 -178.131 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.547 0.689 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -62.38 -39.95 94.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.474 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.17 -40.61 96.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.37 -32.86 61.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.17 -39.76 85.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.726 -0.867 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 110.064 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.87 -39.98 83.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.869 -1.145 . . . . 0.0 108.623 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.51 -21.8 63.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.673 -0.642 . . . . 0.0 109.83 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' B' ' 10' ' ' GLU . 0.9 OUTLIER -61.08 138.13 58.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 109.335 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.42 ' N ' ' OE1' ' B' ' 9' ' ' GLN . 34.3 tt0 -169.95 165.32 9.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.588 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' GLU . 9.5 tp10 -57.36 145.07 33.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.1 79.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.467 -0.771 . . . . 0.0 109.745 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' B' ' 11' ' ' GLU . 4.6 tt0 -101.22 -153.89 0.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -0.81 . . . . 0.0 109.411 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -69.94 -31.12 68.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.248 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -59.94 -39.96 87.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.959 -1.088 . . . . 0.0 109.627 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -63.19 -44.73 94.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.869 -1.145 . . . . 0.0 109.142 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -99.72 94.46 6.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 109.614 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -74.51 -25.13 59.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.956 . . . . 0.0 110.096 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.52 -40.84 98.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.078 -1.014 . . . . 0.0 110.017 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.66 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 0.0 109.116 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.5 ttp -65.54 -40.03 92.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.499 -0.75 . . . . 0.0 109.932 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.71 95.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.953 -1.092 . . . . 0.0 108.926 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.91 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.456 -0.777 . . . . 0.0 110.13 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -61.21 -39.9 91.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.328 -0.858 . . . . 0.0 110.008 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.8 0.86 45.23 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.195 -0.941 . . . . 0.0 109.207 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.02 41.44 31.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.615 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.07 151.48 43.07 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.44 160.15 50.91 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.833 1.689 . . . . 0.0 111.171 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.54 -18.29 14.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.337 2.025 . . . . 0.0 111.406 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.99 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.09 -1.006 . . . . 0.0 110.739 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.46 -44.28 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.955 -1.09 . . . . 0.0 108.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.16 99.42 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.461 -0.774 . . . . 0.0 109.642 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -62.14 -39.98 94.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.078 -1.014 . . . . 0.0 109.933 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 110.059 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.4 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.991 -1.068 . . . . 0.0 108.395 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.05 -39.97 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.2 -32.12 71.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.493 -0.754 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.62 -40.06 70.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.34 110.44 9.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.187 -0.945 . . . . 0.0 108.985 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.5 -39.92 89.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.358 -0.839 . . . . 0.0 110.589 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.4 m -76.0 -33.31 59.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.911 -1.118 . . . . 0.0 109.813 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 110.767 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.725 0.774 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.53 -40.64 97.42 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.427 -0.795 . . . . 0.0 110.317 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -63.14 -42.43 99.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 110.203 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.98 95.16 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.8 mt -64.39 -41.3 91.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.576 -0.955 . . . . 0.0 109.967 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -59.52 -47.21 86.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.935 -1.103 . . . . 0.0 110.074 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -68.49 -40.74 80.82 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.848 -1.158 . . . . 0.0 109.501 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.49 68.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.452 -0.78 . . . . 0.0 110.15 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.7 tt0 -62.67 138.04 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.919 -1.113 . . . . 0.0 109.504 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -161.33 -173.76 3.98 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.97 157.11 25.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.023 . . . . 0.0 110.176 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 62.8 t60 -71.87 79.54 0.89 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.995 -1.066 . . . . 0.0 108.916 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -100.35 -160.83 0.82 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.71 . . . . 0.0 109.816 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -70.48 -26.36 63.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.913 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -60.75 -35.9 77.56 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 108.946 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -60.2 -39.74 87.61 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.626 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.7 p -60.34 -47.97 83.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.781 -1.199 . . . . 0.0 109.167 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -93.79 86.15 5.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.141 -0.975 . . . . 0.0 109.357 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -70.12 -25.78 63.65 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.169 -0.957 . . . . 0.0 109.693 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.12 -40.83 95.26 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.442 -0.786 . . . . 0.0 110.067 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.93 97.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.327 -0.858 . . . . 0.0 108.834 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -65.73 -40.17 91.91 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.92 98.45 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 109.278 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -69.17 -40.34 78.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.124 -0.985 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.7 -39.67 92.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 110.272 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.22 -0.15 39.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.173 -0.955 . . . . 0.0 109.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 54.63 46.24 25.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -0.813 . . . . 0.0 110.46 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 mt -114.31 152.07 45.65 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 158.5 56.28 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.946 1.764 . . . . 0.0 110.337 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.61 -21.63 14.98 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.082 1.855 . . . . 0.0 111.511 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -56.51 -54.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.886 -1.134 . . . . 0.0 109.824 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.94 -44.82 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.121 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.38 83.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.792 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.73 -38.33 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.652 -1.28 . . . . 0.0 110.541 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.65 -39.73 92.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.749 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.44 -39.69 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.77 -39.92 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.09 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.28 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.676 -0.64 . . . . 0.0 109.283 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -70.54 -37.74 74.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.106 -0.996 . . . . 0.0 109.031 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 t -73.97 109.6 7.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.132 -0.98 . . . . 0.0 108.926 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.09 -38.96 84.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.269 -0.894 . . . . 0.0 109.355 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -58.93 -39.97 83.18 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.998 -1.064 . . . . 0.0 110.19 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -80.11 -31.08 39.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.047 -1.033 . . . . 0.0 110.838 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.841 . . . . 0.0 111.666 -177.637 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.545 0.688 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.46 -40.92 96.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.521 -0.737 . . . . 0.0 110.196 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.52 -43.86 95.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.477 -0.764 . . . . 0.0 109.996 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -37.81 95.26 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.24 -40.04 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.767 -0.843 . . . . 0.0 110.495 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -60.02 -46.41 89.6 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.855 -1.153 . . . . 0.0 109.885 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.33 -40.83 77.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.774 -1.204 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.23 72.07 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.297 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.54 137.9 58.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.956 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -161.27 -176.26 5.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -62.86 154.89 28.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.01 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' B' ' 12' ' ' HIS . 65.0 t60 -69.62 79.4 0.42 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.512 -0.743 . . . . 0.0 109.32 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -100.31 -162.63 0.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.638 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.14 -26.81 65.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.467 -0.77 . . . . 0.0 109.543 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.27 -39.97 88.71 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.242 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -61.79 -46.85 87.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.225 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -93.55 85.97 5.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -70.27 -26.85 64.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.889 -1.132 . . . . 0.0 109.761 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.09 -41.25 92.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.937 -1.102 . . . . 0.0 110.36 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.7 91.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.19 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.57 -41.14 89.02 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.65 -0.656 . . . . 0.0 109.739 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.46 96.74 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.358 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -68.79 -40.27 79.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.15 -40.48 96.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.901 -1.124 . . . . 0.0 110.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.08 -0.48 41.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.334 -0.854 . . . . 0.0 109.798 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 54.48 45.59 26.71 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.545 -0.722 . . . . 0.0 109.973 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.48 151.35 44.38 Favored Pre-proline 0 N--CA 1.499 1.982 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.85 158.12 57.92 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.83 1.687 . . . . 0.0 110.683 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.4 -21.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 121.907 1.738 . . . . 0.0 111.467 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.54 -53.29 46.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.824 -1.173 . . . . 0.0 110.178 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.73 -44.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 109.194 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.7 84.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.511 -0.743 . . . . 0.0 109.986 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -62.08 -39.7 93.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.583 -1.323 . . . . 0.0 110.189 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.4 -39.94 92.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.832 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.73 -39.68 84.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.879 -1.138 . . . . 0.0 108.23 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.23 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.271 -0.893 . . . . 0.0 108.872 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.94 69.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.392 -0.817 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -36.87 69.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.114 -0.992 . . . . 0.0 108.957 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 24.5 t -75.35 109.48 8.91 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.265 -0.897 . . . . 0.0 109.016 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.68 -38.28 81.11 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.691 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -59.29 -40.28 85.67 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.062 -1.024 . . . . 0.0 110.263 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.06 -31.13 39.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.032 -1.042 . . . . 0.0 110.821 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 . . . . . 0 N--CA 1.495 1.787 0 O-C-N 121.007 -1.058 . . . . 0.0 111.987 -177.309 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.214 0.53 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.24 -41.54 96.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.19 -40.67 96.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.381 -0.824 . . . . 0.0 109.899 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.49 -36.1 92.69 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.65 -39.69 82.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -1.094 . . . . 0.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.35 -42.55 91.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.82 -1.175 . . . . 0.0 110.279 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.31 -41.05 73.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 109.483 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.88 62.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.756 -0.59 . . . . 0.0 110.899 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.3 140.29 58.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 109.445 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.61 -175.72 3.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.117 -0.989 . . . . 0.0 109.424 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.79 154.91 41.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.171 -0.956 . . . . 0.0 109.82 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.75 72.78 0.55 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.535 -0.728 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -102.17 -149.71 0.39 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.573 -0.705 . . . . 0.0 109.861 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.27 -32.56 70.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.471 -0.768 . . . . 0.0 109.852 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 109.699 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -60.32 -44.86 95.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.148 -0.97 . . . . 0.0 109.64 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -98.01 100.37 11.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.289 -0.882 . . . . 0.0 108.759 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.467 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 55.7 p-90 -77.25 -24.86 51.09 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.387 -0.821 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 58.7 mtt-85 -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.407 -0.808 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.54 97.38 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.069 -1.053 . . . . 0.0 108.706 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.2 ttm -62.5 -44.16 97.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.324 -0.86 . . . . 0.0 109.898 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.79 -44.98 94.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -67.33 -40.07 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.597 -0.689 . . . . 0.0 109.882 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.4 -40.59 94.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.212 -0.93 . . . . 0.0 109.852 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -100.59 1.93 41.27 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.489 -0.757 . . . . 0.0 110.136 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.1 m-20 55.02 43.64 29.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.509 -0.744 . . . . 0.0 110.185 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 41.8 mt -116.92 150.71 46.36 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.1 162.12 36.99 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.892 1.728 . . . . 0.0 110.778 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.05 -20.74 24.55 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.689 2.26 . . . . 0.0 112.623 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.01 -48.63 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.686 -1.259 . . . . 0.0 110.751 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.62 -44.54 82.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.878 -1.139 . . . . 0.0 109.204 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.26 94.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -63.03 -39.47 94.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.167 -0.958 . . . . 0.0 109.747 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.49 -40.15 90.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.851 -1.156 . . . . 0.0 109.339 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.04 -40.05 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.905 -1.122 . . . . 0.0 108.744 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.81 -40.06 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.185 -0.947 . . . . 0.0 108.539 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' B' ' 38' ' ' ALA . . . -66.58 -35.51 80.37 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.599 -0.688 . . . . 0.0 109.609 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -72.56 -38.85 67.84 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.316 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.76 114.21 15.27 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.45 -39.75 88.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.0 110.585 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.42 -41.15 93.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.908 -1.12 . . . . 0.0 110.156 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.56 -29.88 37.03 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.279 -0.888 . . . . 0.0 110.309 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 N--CA 1.497 1.894 0 O-C-N 121.238 -0.914 . . . . 0.0 110.951 -177.539 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.44 -40.9 98.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.359 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.18 -41.37 97.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.377 -0.827 . . . . 0.0 109.858 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.81 91.73 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.94 -39.76 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -1.039 . . . . 0.0 110.375 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.38 -41.8 90.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.883 -1.136 . . . . 0.0 110.687 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -70.62 -39.95 73.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.832 -1.168 . . . . 0.0 109.369 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -25.62 61.66 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.7 -0.625 . . . . 0.0 110.59 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.95 139.88 58.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.043 -1.036 . . . . 0.0 109.859 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -165.02 -175.93 3.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.872 . . . . 0.0 109.291 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.81 154.15 42.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 110.254 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.84 71.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.451 -0.781 . . . . 0.0 109.269 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -100.82 -149.66 0.38 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.566 0.698 . . . . 0.0 110.152 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.91 -32.82 71.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.708 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -60.3 -39.7 87.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.336 -0.853 . . . . 0.0 109.967 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -60.44 -40.22 90.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.992 -1.067 . . . . 0.0 109.655 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -60.06 -45.33 93.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.162 -0.961 . . . . 0.0 109.289 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.13 99.39 10.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.361 -0.837 . . . . 0.0 109.166 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.404 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 54.0 p-90 -76.58 -25.23 53.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.0 mtt-85 -60.62 -40.39 91.75 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.94 97.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.029 -1.044 . . . . 0.0 109.009 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -62.46 -43.79 97.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 110.121 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.48 -44.66 93.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.06 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.6 t -67.58 -40.18 84.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.635 -0.666 . . . . 0.0 109.716 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -61.39 -40.29 93.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.357 -0.839 . . . . 0.0 109.467 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -100.8 0.92 39.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.453 -0.779 . . . . 0.0 110.241 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 56.37 42.36 27.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.355 -0.841 . . . . 0.0 110.405 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.462 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 47.3 mt -116.28 151.42 46.77 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.46 162.09 38.17 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 121.627 1.551 . . . . 0.0 111.036 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.49 -19.41 22.83 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.554 2.169 . . . . 0.0 112.46 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -49.88 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.712 -1.243 . . . . 0.0 110.615 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.74 -45.78 87.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 120.99 -1.069 . . . . 0.0 109.396 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.93 96.77 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.854 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.41 -39.5 94.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.886 -1.134 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.78 -40.05 91.11 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.723 -1.236 . . . . 0.0 109.695 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.73 -40.49 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.796 -1.19 . . . . 0.0 108.739 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.68 -40.89 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -66.17 -37.16 84.97 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.532 -0.73 . . . . 0.0 109.419 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -70.18 -39.12 75.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.429 -0.794 . . . . 0.0 110.125 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.6 114.37 15.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.994 -1.066 . . . . 0.0 108.732 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.51 -40.03 89.92 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.377 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.17 -41.77 93.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.798 -1.189 . . . . 0.0 110.298 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -79.82 -28.89 40.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.0 110.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 . . . . . 0 N--CA 1.499 1.984 0 O-C-N 121.104 -0.997 . . . . 0.0 111.103 -177.359 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 121.828 0.823 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.82 -40.5 97.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 110.953 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.77 -39.94 91.53 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.171 -0.956 . . . . 0.0 111.424 -178.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.56 -34.93 90.44 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.841 -1.704 . . . . 0.0 108.841 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.97 -40.05 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 121.376 -1.073 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.33 -178.401 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.451 -1.406 . . . . 0.0 108.904 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.31 78.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.723 -0.611 . . . . 0.0 110.199 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -65.65 127.31 31.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.308 -0.87 . . . . 0.0 110.194 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -147.3 -165.04 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.331 -0.855 . . . . 0.0 109.047 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' GLU . 67.1 mm-40 -69.83 153.78 42.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 109.351 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 70.1 t60 -64.71 71.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 109.676 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 11' ' ' GLU . 86.5 mt-10 -94.05 -162.14 0.91 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.365 -0.834 . . . . 0.0 109.368 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 17' ' ' SER . 67.9 mttm -69.89 -25.61 63.78 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.547 -0.721 . . . . 0.0 109.822 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.88 -36.6 77.28 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.28 -40.67 86.86 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.592 -1.318 . . . . 0.0 109.106 179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 78.3 p -62.56 -42.63 99.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.882 -1.136 . . . . 0.0 108.844 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -92.4 84.05 5.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.947 -1.096 . . . . 0.0 108.734 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -71.39 -24.17 62.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 0.0 109.757 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -61.75 -40.39 94.95 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.579 -1.326 . . . . 0.0 109.76 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.49 94.24 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.0 ttm -61.74 -47.07 86.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.33 -0.856 . . . . 0.0 109.268 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.078 -1.014 . . . . 0.0 109.535 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -69.11 -40.26 78.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.38 -0.825 . . . . 0.0 110.12 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.73 -40.85 93.87 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.279 -0.888 . . . . 0.0 109.981 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -102.89 1.82 34.43 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 0.0 110.47 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.0 m-20 53.06 47.42 24.6 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 110.434 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 38.4 mt -118.02 152.04 49.79 Favored Pre-proline 0 N--CA 1.501 2.092 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.73 161.63 42.92 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.513 1.475 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.9 -20.45 13.25 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 122.736 2.291 . . . . 0.0 112.048 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -50.63 79.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.075 -1.016 . . . . 0.0 111.174 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.81 -42.55 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.479 -1.388 . . . . 0.0 109.032 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.28 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 109.678 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -62.25 -40.19 95.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.876 -1.14 . . . . 0.0 109.668 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.4 tm-20 -61.21 -40.57 94.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.05 . . . . 0.0 109.633 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.49 -40.5 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.865 -1.147 . . . . 0.0 108.773 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.94 -40.0 87.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.88 -28.4 65.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.531 -0.731 . . . . 0.0 110.1 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.411 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 47.1 m -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.018 -1.051 . . . . 0.0 109.322 -179.437 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 t -71.74 113.32 8.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 109.408 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.33 -40.05 89.25 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.08 -1.013 . . . . 0.0 110.128 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.29 -39.64 87.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.41 -0.806 . . . . 0.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 60.8 m -78.09 -35.73 49.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.035 -1.041 . . . . 0.0 109.976 -179.352 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.696 . . . . 0.0 109.783 -178.628 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.431 0.634 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.74 -42.27 92.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.684 . . . . 0.0 111.167 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.26 -41.05 97.12 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.699 -1.251 . . . . 0.0 110.816 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.72 92.41 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.0 mt -67.44 -40.02 83.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.185 -1.186 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.31 -49.94 75.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.727 -1.233 . . . . 0.0 109.974 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.41 -39.52 89.03 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.866 -1.146 . . . . 0.0 109.12 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.84 76.79 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.738 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.17 129.8 41.04 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 110.644 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -148.76 -164.93 2.14 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 13' ' ' GLU . 65.5 mm-40 -71.05 154.03 42.11 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.33 -0.856 . . . . 0.0 109.271 179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -64.44 73.1 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 11' ' ' GLU . 90.3 mt-10 -96.53 -162.14 0.93 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.581 -0.699 . . . . 0.0 109.229 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.94 -26.62 64.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.706 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -59.7 -35.54 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.917 -1.114 . . . . 0.0 110.199 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.15 -41.0 91.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.605 -1.309 . . . . 0.0 108.666 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -61.95 -44.07 97.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.961 -1.087 . . . . 0.0 108.496 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -92.02 86.19 5.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.0 109.152 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -72.33 -25.67 61.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.512 -0.743 . . . . 0.0 110.001 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -60.41 -41.56 94.18 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.819 -0.753 . . . . 0.0 109.781 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.22 92.61 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.151 -0.968 . . . . 0.0 110.111 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.89 -46.47 89.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.899 -1.126 . . . . 0.0 109.067 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.81 -41.77 99.44 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.684 0.754 . . . . 0.0 109.815 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.2 -39.96 78.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.74 -41.45 95.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.354 -0.841 . . . . 0.0 109.807 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.64 0.28 35.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.373 -0.829 . . . . 0.0 110.024 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.08 50.81 15.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.168 -0.958 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.7 mt -122.44 153.0 62.12 Favored Pre-proline 0 N--CA 1.498 1.972 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.77 160.57 47.7 Favored 'Trans proline' 0 N--CA 1.503 2.079 0 C-N-CA 121.88 1.72 . . . . 0.0 112.289 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.18 -19.37 12.06 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.579 2.186 . . . . 0.0 112.052 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -50.38 80.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.049 -1.032 . . . . 0.0 110.711 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.79 -44.71 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.746 -1.221 . . . . 0.0 108.676 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.48 97.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -0.97 . . . . 0.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -63.73 -39.92 95.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.08 -1.012 . . . . 0.0 109.609 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.45 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.6 tm-20 -60.51 -41.2 93.87 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.125 -0.984 . . . . 0.0 109.974 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -64.89 -40.44 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.07 -40.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.425 -0.797 . . . . 0.0 109.133 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.66 66.86 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.572 0.701 . . . . 0.0 110.226 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.45 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 65.8 m -70.72 -39.1 73.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.855 -1.153 . . . . 0.0 109.196 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.17 113.7 9.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.016 -1.053 . . . . 0.0 109.196 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.99 -40.26 88.57 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.608 -0.683 . . . . 0.0 109.552 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.7 -40.03 90.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.018 -1.051 . . . . 0.0 111.209 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.05 -34.97 50.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.874 -1.141 . . . . 0.0 109.981 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.222 -0.924 . . . . 0.0 110.365 -178.352 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.157 0.503 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.83 -40.09 95.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.359 -0.838 . . . . 0.0 110.204 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.66 -42.59 98.07 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.133 -0.98 . . . . 0.0 109.621 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.31 96.8 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.56 -39.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.422 -1.046 . . . . 0.0 109.989 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.5 -49.68 76.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.149 -0.969 . . . . 0.0 110.63 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -68.05 -40.25 82.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.922 -1.112 . . . . 0.0 109.461 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -26.43 64.5 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 109.95 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.17 131.59 51.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 108.991 -179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 45.3 tt0 -153.85 161.13 42.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.351 -0.843 . . . . 0.0 108.95 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.5 tp10 -53.02 153.35 3.51 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 109.335 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -65.91 70.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.447 -0.783 . . . . 0.0 109.356 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.7 tt0 -101.07 -149.75 0.38 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.647 0.737 . . . . 0.0 109.648 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 98.4 mttt -70.18 -34.67 73.25 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.528 -0.732 . . . . 0.0 110.948 -179.499 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -59.82 -37.79 80.19 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.152 -0.967 . . . . 0.0 109.141 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' NE2' ' O ' ' A' ' 10' ' ' GLU . 7.5 m170 -60.54 -42.24 96.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.875 -1.14 . . . . 0.0 109.072 179.254 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -60.36 -48.59 81.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.939 -1.1 . . . . 0.0 109.599 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -95.98 87.89 4.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.054 -1.029 . . . . 0.0 109.588 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.611 ' CE2' ' NZ ' ' A' ' 34' ' ' LYS . 66.1 p-90 -70.05 -22.47 63.07 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.217 -0.927 . . . . 0.0 109.589 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.35 -40.88 92.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.053 -1.029 . . . . 0.0 109.092 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.18 94.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.126 -0.984 . . . . 0.0 109.195 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.476 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.1 ttm -60.75 -45.98 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.419 -0.8 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.11 -42.16 99.5 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.327 -0.858 . . . . 0.0 109.371 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 t -69.87 -40.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -60.42 -40.2 90.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -100.84 1.76 40.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.539 -0.725 . . . . 0.0 109.68 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.2 m-20 53.61 44.95 29.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.0 mt -116.4 152.67 48.35 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.54 161.32 46.46 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 121.458 1.439 . . . . 0.0 110.737 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.21 -17.54 11.97 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.542 2.161 . . . . 0.0 111.793 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.16 -50.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.0 110.441 -178.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.81 -47.96 77.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 120.975 -1.078 . . . . 0.0 109.149 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.81 94.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' A' ' 19' ' ' TRP . 17.3 mmtm -63.98 -39.97 95.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.089 -1.007 . . . . 0.0 109.762 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 5.5 tm-20 -60.78 -40.29 92.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.031 -1.043 . . . . 0.0 109.805 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.476 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.8 mt -61.72 -39.73 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.37 -39.52 83.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.68 74.17 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.876 -0.515 . . . . 0.0 109.749 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.452 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 68.6 m -73.92 -39.03 64.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.171 -0.955 . . . . 0.0 110.166 -179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.03 117.42 18.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 108.799 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.46 -40.1 93.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.139 -0.976 . . . . 0.0 110.234 -179.212 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.9 -42.07 97.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.413 -0.805 . . . . 0.0 110.183 -179.124 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.2 m -79.21 -23.59 43.69 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.056 -1.027 . . . . 0.0 109.942 -179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.25 -0.906 . . . . 0.0 110.268 -178.326 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.249 0.547 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.7 -40.05 95.82 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.393 -0.817 . . . . 0.0 110.129 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 3' ' ' ASP . 31.6 t0 -64.08 -41.26 97.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.546 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 -37.85 95.16 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.33 -39.61 85.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.659 -0.907 . . . . 0.0 109.964 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.86 -49.36 78.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.926 -1.109 . . . . 0.0 110.816 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -67.44 -40.47 85.43 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.987 -1.071 . . . . 0.0 109.084 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -26.77 64.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.558 -0.714 . . . . 0.0 110.102 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.14 131.79 51.92 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.156 -0.965 . . . . 0.0 109.352 -179.328 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 46.9 tt0 -155.38 158.5 38.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.866 . . . . 0.0 109.233 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' B' ' 13' ' ' GLU . 8.5 tp10 -50.05 153.9 1.27 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.204 -0.935 . . . . 0.0 109.39 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 71.1 t60 -67.25 71.91 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.9 . . . . 0.0 109.604 -179.345 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 11' ' ' GLU . 15.3 tt0 -101.73 -149.79 0.39 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.579 0.704 . . . . 0.0 109.62 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.02 -34.36 73.17 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.609 -0.682 . . . . 0.0 110.996 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -60.18 -39.02 85.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.095 -1.003 . . . . 0.0 109.199 -178.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' B' ' 10' ' ' GLU . 7.7 m170 -60.56 -41.3 94.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.79 -1.194 . . . . 0.0 109.025 179.34 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.6 -49.42 77.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.8 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.22 88.27 5.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.178 -0.951 . . . . 0.0 109.207 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' TRP . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 34' ' ' LYS . 66.5 p-90 -70.37 -22.58 62.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.078 -1.014 . . . . 0.0 109.57 179.731 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.94 -39.81 90.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.78 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.067 . . . . 0.0 108.667 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.2 ttm -60.9 -45.59 94.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.851 . . . . 0.0 109.756 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -63.85 -41.94 97.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.082 -1.011 . . . . 0.0 109.531 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -69.28 -40.5 77.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.905 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.56 -40.65 92.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 0.0 109.571 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.34 1.86 41.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.48 -0.763 . . . . 0.0 109.714 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 23' ' ' ALA . 96.0 m-20 53.61 44.4 29.82 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.468 -0.77 . . . . 0.0 109.266 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 56.8 mt -115.36 152.79 47.31 Favored Pre-proline 0 N--CA 1.5 2.074 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 161.56 45.55 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.688 1.592 . . . . 0.0 110.95 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.56 -17.41 12.79 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.443 2.095 . . . . 0.0 111.623 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.55 -50.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.058 -1.027 . . . . 0.0 110.406 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.93 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.65 98.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 19' ' ' TRP . 17.6 mmtm -63.03 -39.79 95.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.209 -0.932 . . . . 0.0 109.608 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.466 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.2 tm-20 -61.1 -40.66 94.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 109.487 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.495 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -61.26 -40.3 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 108.831 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.76 -40.53 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.28 73.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.931 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.466 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 69.8 m -73.94 -39.64 63.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.039 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.0 t -76.71 118.9 19.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.064 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.06 -40.18 94.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 110.496 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.01 -41.38 98.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 110.358 -178.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 40.0 m -79.6 -22.45 43.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.787 -1.196 . . . . 0.0 110.037 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.256 -0.902 . . . . 0.0 109.913 -178.477 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.27 0.557 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.08 -42.39 94.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.592 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -64.14 -39.96 95.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.994 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.51 97.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.85 -40.07 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.618 -0.931 . . . . 0.0 110.682 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -46.29 89.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.15 . . . . 0.0 109.645 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.45 -39.96 77.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.104 -0.997 . . . . 0.0 109.172 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.14 62.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.54 -0.725 . . . . 0.0 110.109 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.15 137.68 58.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.179 -0.951 . . . . 0.0 109.876 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -158.42 165.71 34.0 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -59.48 152.15 22.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.091 -1.005 . . . . 0.0 109.48 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.91 78.05 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.428 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 11' ' ' GLU . 75.5 mm-40 -100.59 -159.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.638 -0.663 . . . . 0.0 109.38 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.01 -30.64 68.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.244 -0.91 . . . . 0.0 109.758 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.03 -36.25 76.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.387 -0.821 . . . . 0.0 109.188 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -59.96 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.052 -1.03 . . . . 0.0 109.182 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -60.06 -45.74 91.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.966 -1.084 . . . . 0.0 109.118 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -94.12 88.98 5.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 109.435 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.94 -29.02 66.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.948 . . . . 0.0 109.684 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 40.3 mtm-85 -60.8 -41.06 94.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 110.481 -178.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.963 -1.086 . . . . 0.0 109.056 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 ttp -65.37 -40.68 93.85 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.439 -0.788 . . . . 0.0 109.578 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.93 96.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.232 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -66.26 -39.98 89.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 0.0 109.907 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.61 -40.02 95.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -0.924 . . . . 0.0 110.025 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -98.42 -0.53 43.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 53.85 46.52 25.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.779 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.21 150.9 46.05 Favored Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.35 159.93 51.78 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 121.342 1.361 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.66 -21.22 10.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.685 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.47 -54.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.84 -44.99 92.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.413 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.92 89.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.428 -0.795 . . . . 0.0 109.85 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -63.28 -39.34 94.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.154 -0.966 . . . . 0.0 110.066 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.73 -1.232 . . . . 0.0 109.692 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.2 -39.96 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.406 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.68 -39.96 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.94 95.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 109.384 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m -71.59 -39.98 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.94 111.46 10.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.982 -1.074 . . . . 0.0 108.772 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.15 -39.92 88.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.323 -0.861 . . . . 0.0 110.674 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.38 -40.02 89.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 110.375 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.23 -27.27 47.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.023 -1.048 . . . . 0.0 110.038 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.25 -0.906 . . . . 0.0 110.534 -178.544 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.0 -42.59 94.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.231 -0.918 . . . . 0.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.06 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.44 97.12 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.91 -40.06 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -1.008 . . . . 0.0 110.707 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.04 -46.32 89.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.941 -1.099 . . . . 0.0 109.588 -179.16 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.38 -40.07 77.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.936 . . . . 0.0 109.167 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.2 63.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.577 -0.702 . . . . 0.0 110.168 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.14 137.69 58.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 0.0 109.88 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -158.47 165.61 34.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.0 108.791 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 13' ' ' GLU . 51.1 mt-10 -59.27 152.13 21.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.948 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.92 78.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.425 -0.797 . . . . 0.0 109.405 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 11' ' ' GLU . 75.6 mm-40 -100.47 -159.29 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.632 -0.668 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -30.63 67.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -60.04 -36.19 76.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.313 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -60.09 -39.93 87.83 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.092 -1.005 . . . . 0.0 109.141 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -60.16 -45.7 92.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.873 -1.142 . . . . 0.0 109.037 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -94.08 89.01 5.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.99 -29.02 66.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.664 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' B' ' 20' ' ' ARG . 40.1 mtm-85 -60.85 -40.97 94.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -178.826 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.27 95.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.989 -1.07 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -65.3 -40.74 94.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.443 -0.786 . . . . 0.0 109.617 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.92 96.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.081 -1.012 . . . . 0.0 109.229 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -66.25 -39.99 89.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.391 -0.818 . . . . 0.0 109.896 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.56 -40.01 95.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.149 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -98.57 -0.42 43.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.198 -0.939 . . . . 0.0 109.989 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 53.85 46.42 25.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 109.76 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -116.12 150.86 45.9 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.24 159.97 51.7 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 121.303 1.336 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.66 -21.27 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.361 2.04 . . . . 0.0 111.768 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.44 -54.41 31.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 110.39 -178.948 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.85 -45.07 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.111 -0.993 . . . . 0.0 109.388 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.85 89.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.32 -39.23 93.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.121 -0.987 . . . . 0.0 110.105 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.633 -1.292 . . . . 0.0 109.634 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.21 -40.05 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.968 -1.082 . . . . 0.0 108.458 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.6 -40.0 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.95 95.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.611 -0.68 . . . . 0.0 109.32 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.8 m -71.57 -40.04 70.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.057 -1.027 . . . . 0.0 109.535 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -74.96 111.37 10.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.958 -1.089 . . . . 0.0 108.776 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.13 -39.96 88.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.347 -0.845 . . . . 0.0 110.549 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.26 -39.92 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.0 110.513 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.27 -27.39 47.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 110.619 -178.549 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.64 -40.08 84.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.51 -43.14 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.956 . . . . 0.0 110.383 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.39 97.32 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.76 -40.07 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.641 -0.917 . . . . 0.0 110.327 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.98 -48.61 81.01 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 -178.538 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.79 -40.02 79.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.854 -1.154 . . . . 0.0 109.649 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -28.77 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.017 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.49 137.6 58.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.782 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -169.9 163.93 9.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.34 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.966 -1.084 . . . . 0.0 109.513 -179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -70.15 79.02 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.099 -1.001 . . . . 0.0 110.29 -178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -77.13 170.56 16.32 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.9 -28.16 69.65 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.3 -24.34 64.9 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.397 -0.814 . . . . 0.0 110.117 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.74 -39.91 86.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.805 -1.184 . . . . 0.0 109.39 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -60.42 -43.08 97.11 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.771 -1.206 . . . . 0.0 108.9 179.346 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -92.62 85.0 5.14 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.162 -0.961 . . . . 0.0 109.288 179.161 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -70.14 -26.74 64.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.242 -0.911 . . . . 0.0 109.842 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.92 -41.38 96.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.115 -0.99 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.07 90.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 109.648 -179.725 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.6 ttm -60.92 -43.33 98.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 110.013 -179.521 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.64 93.16 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 109.681 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -64.77 -39.92 94.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.444 -0.785 . . . . 0.0 110.231 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.72 -40.04 95.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.956 . . . . 0.0 110.225 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -100.41 1.2 41.1 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.178 -0.951 . . . . 0.0 110.242 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.85 46.74 23.84 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.371 -0.831 . . . . 0.0 109.589 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.1 mt -118.99 151.62 50.66 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.0 Cg_endo -70.26 148.62 62.25 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.639 1.559 . . . . 0.0 111.342 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -41.6 -20.37 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.277 1.985 . . . . 0.0 112.74 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.7 t -60.08 -50.5 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 111.035 -178.146 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.58 -41.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 120.874 -1.141 . . . . 0.0 109.171 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.19 95.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.9 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.72 -37.53 86.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.059 -1.026 . . . . 0.0 110.058 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.92 -40.08 87.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.962 -1.086 . . . . 0.0 109.616 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.409 HD12 ' SD ' ' A' ' 22' ' ' MET . 94.6 mt -61.18 -40.02 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.842 -1.162 . . . . 0.0 108.784 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -40.1 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.853 . . . . 0.0 108.806 178.961 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.95 93.8 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.615 -0.678 . . . . 0.0 109.44 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -72.07 -39.95 68.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 109.678 -179.491 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 t -76.02 107.6 8.34 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.05 -39.83 87.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 109.943 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 -32.38 59.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.987 -1.07 . . . . 0.0 109.582 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.9 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 111.362 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.4 -40.02 85.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.441 -0.787 . . . . 0.0 110.069 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.78 -43.19 99.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.293 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -39.59 97.51 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.57 -40.0 83.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.62 -0.929 . . . . 0.0 110.414 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.98 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.929 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.75 -40.11 79.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.844 -1.16 . . . . 0.0 109.658 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.85 65.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.454 -0.779 . . . . 0.0 110.081 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.4 137.74 58.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.774 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -169.93 164.0 9.58 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.51 169.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.892 -1.13 . . . . 0.0 109.491 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -69.99 79.04 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.107 -0.996 . . . . 0.0 110.347 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -77.08 170.67 16.11 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.08 -27.92 69.43 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.55 -23.97 65.03 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.3 -0.875 . . . . 0.0 110.072 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.747 -1.22 . . . . 0.0 109.277 -179.196 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -60.46 -42.98 97.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 108.793 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -92.77 84.79 5.04 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 179.095 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -70.07 -26.57 64.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.0 109.874 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.89 -41.01 95.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.837 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.96 91.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.845 . . . . 0.0 109.651 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.429 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.9 ttm -61.08 -43.27 99.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.38 -0.825 . . . . 0.0 109.875 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.28 94.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.762 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -65.25 -40.03 93.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 110.197 -179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.59 -40.01 95.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.96 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -100.25 1.43 41.77 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.294 -0.879 . . . . 0.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.48 46.82 24.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 109.642 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -118.99 151.42 50.39 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.419 -0.8 . . . . 0.0 108.867 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.5 Cg_endo -70.11 148.56 63.1 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.628 1.552 . . . . 0.0 111.407 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.59 -20.4 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.301 2.001 . . . . 0.0 112.688 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.6 t -60.02 -50.71 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.903 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.24 -41.8 81.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.868 -1.145 . . . . 0.0 109.129 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.26 95.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.354 -0.841 . . . . 0.0 109.826 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.67 -37.76 87.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.059 -1.026 . . . . 0.0 109.918 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -59.92 -40.08 87.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.931 -1.106 . . . . 0.0 109.455 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -60.91 -40.07 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.778 -1.202 . . . . 0.0 108.813 179.571 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.21 -40.01 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.28 -39.81 93.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.696 -0.628 . . . . 0.0 109.462 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -72.21 -39.96 68.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -0.954 . . . . 0.0 109.622 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.99 107.64 8.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 108.285 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.447 -0.783 . . . . 0.0 109.857 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.01 -40.08 87.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.378 -0.826 . . . . 0.0 110.034 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -75.84 -32.16 59.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.002 -1.061 . . . . 0.0 109.694 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.4 tt0 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 111.318 -177.899 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.488 0.661 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.76 -42.44 98.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.705 -0.622 . . . . 0.0 111.031 -178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.02 -40.61 98.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.929 -1.107 . . . . 0.0 109.83 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -40.06 98.23 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.66 -40.71 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.671 -0.899 . . . . 0.0 110.551 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -59.84 -46.59 88.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.797 -1.19 . . . . 0.0 110.022 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.16 -40.31 82.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.172 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -28.59 65.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.145 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.33 140.2 58.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.0 109.833 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.89 -179.79 5.45 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLU . 88.2 tt0 -61.44 152.1 30.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.666 -1.271 . . . . 0.0 109.898 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 64.4 t60 -64.02 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.61 0.719 . . . . 0.0 110.076 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.8 mt-10 -84.35 -165.64 1.22 Allowed 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.668 -0.645 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.12 -29.3 66.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.733 -0.604 . . . . 0.0 109.465 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.25 -32.49 68.41 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.426 -0.796 . . . . 0.0 109.919 -178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -59.86 -40.23 87.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.681 -1.262 . . . . 0.0 108.463 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -47.15 85.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -93.04 82.17 4.59 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.05 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -69.68 -27.72 65.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.185 -0.947 . . . . 0.0 109.924 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.69 -40.3 94.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.039 -1.038 . . . . 0.0 110.419 -179.239 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.53 96.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -0.922 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.06 97.51 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.586 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -68.67 -39.84 80.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.83 -41.29 95.47 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.191 -0.943 . . . . 0.0 110.201 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -98.42 1.18 46.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.101 -1.0 . . . . 0.0 109.287 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 55.2 43.2 29.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.422 -0.799 . . . . 0.0 110.583 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 mt -111.85 150.24 42.01 Favored Pre-proline 0 N--CA 1.503 2.196 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 42.1 Cg_endo -68.77 148.96 72.48 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.416 1.41 . . . . 0.0 111.292 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.43 -20.4 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.072 1.848 . . . . 0.0 112.041 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' PRO . 74.2 t -59.62 -52.05 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.142 -0.974 . . . . 0.0 111.118 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.97 -41.42 81.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.894 -1.129 . . . . 0.0 109.192 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.68 93.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -63.77 -40.16 96.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.083 -1.011 . . . . 0.0 109.725 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -61.41 -41.03 96.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.945 -1.097 . . . . 0.0 110.096 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.99 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.76 -40.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.561 -0.712 . . . . 0.0 109.892 -179.06 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 m -70.37 -38.44 74.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.064 -1.022 . . . . 0.0 109.414 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.4 110.68 8.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.17 -0.956 . . . . 0.0 108.881 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.584 0.706 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -59.67 -39.63 85.1 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.01 -1.056 . . . . 0.0 109.479 -178.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.84 -47.47 21.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.097 -1.002 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.501 2.088 0 O-C-N 121.322 -0.861 . . . . 0.0 110.863 -178.02 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.631 0.729 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.96 -42.99 99.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.456 -0.777 . . . . 0.0 111.131 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.28 -41.44 98.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -0.953 . . . . 0.0 109.977 -179.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -39.92 97.92 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.53 -40.45 86.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.461 -1.023 . . . . 0.0 110.662 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.905 -1.122 . . . . 0.0 110.091 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -68.08 -40.2 82.74 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.755 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -29.4 65.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.352 -0.842 . . . . 0.0 109.916 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.14 140.28 57.93 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.465 -0.772 . . . . 0.0 109.352 -178.724 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -166.0 179.98 5.52 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 13' ' ' GLU . 88.5 tt0 -60.95 152.6 27.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.77 -1.206 . . . . 0.0 109.849 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 62.8 t60 -64.88 72.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.535 -0.728 . . . . 0.0 109.58 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 11' ' ' GLU . 60.6 mt-10 -85.86 -165.03 1.12 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.57 0.7 . . . . 0.0 109.482 179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.96 -29.6 66.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.338 0.589 . . . . 0.0 109.48 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -56.85 -33.35 66.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.257 -0.902 . . . . 0.0 109.952 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -59.4 -40.61 87.15 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.91 -1.119 . . . . 0.0 108.748 179.467 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 57.8 p -62.08 -48.13 81.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.031 -1.043 . . . . 0.0 109.143 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.62 83.73 4.94 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.346 -0.846 . . . . 0.0 108.756 178.773 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.17 -28.63 65.48 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.292 -0.88 . . . . 0.0 109.776 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.19 -40.21 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.281 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.89 97.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.67 -1.269 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.94 -42.41 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.243 -0.91 . . . . 0.0 109.866 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.76 96.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.02 -1.05 . . . . 0.0 109.909 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -67.72 -40.47 84.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 109.943 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.57 -41.13 93.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.318 -0.863 . . . . 0.0 110.091 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -98.66 0.94 45.72 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.243 -0.91 . . . . 0.0 109.674 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 55.89 40.8 30.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.428 -0.795 . . . . 0.0 110.695 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -109.84 150.49 41.41 Favored Pre-proline 0 N--CA 1.501 2.101 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.0 Cg_endo -68.58 149.24 73.9 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.597 1.531 . . . . 0.0 111.178 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -43.33 -20.06 0.19 Allowed 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 121.756 1.637 . . . . 0.0 112.176 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.2 t -59.92 -51.54 71.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.199 -0.938 . . . . 0.0 110.901 -178.222 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.97 -40.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.925 -1.11 . . . . 0.0 109.198 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.12 91.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.189 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -63.08 -40.03 96.45 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.991 -1.068 . . . . 0.0 109.671 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.57 -41.2 97.05 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.943 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -40.69 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.81 -39.87 86.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.88 67.7 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.595 -0.691 . . . . 0.0 109.996 -178.799 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.0 m -71.0 -37.75 72.67 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 109.283 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -74.21 110.29 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.289 -0.882 . . . . 0.0 109.05 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -39.44 85.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.663 -0.648 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -59.85 -38.91 83.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.105 -0.997 . . . . 0.0 109.545 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.82 -47.07 19.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.727 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.501 2.111 0 O-C-N 121.29 -0.881 . . . . 0.0 110.679 -177.688 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.576 0.703 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.642 -0.661 . . . . 0.0 110.222 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.07 -40.36 94.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 0.0 110.551 -179.312 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.02 98.7 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.653 -1.779 . . . . 0.0 108.653 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.92 -40.05 82.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.556 -0.967 . . . . 0.0 109.998 -179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.0 -50.09 75.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.38 -40.04 81.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.021 -1.05 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -23.91 63.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.638 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.96 140.11 58.35 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.934 -1.104 . . . . 0.0 109.769 -179.033 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.92 158.38 8.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.51 -0.744 . . . . 0.0 109.399 -179.348 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 43.0 tt0 -46.48 157.13 0.15 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 109.867 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 79.1 t60 -66.89 67.67 0.06 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 68.7 mm-40 -82.34 -165.32 0.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 0.0 109.968 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -69.99 -28.84 65.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -59.89 -33.71 72.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.927 . . . . 0.0 109.736 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.88 -40.58 89.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.844 -1.16 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.0 p -61.09 -43.04 99.49 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.889 -1.132 . . . . 0.0 108.356 179.133 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.63 81.52 3.88 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.366 -0.834 . . . . 0.0 109.296 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -69.94 -27.6 64.89 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.197 -0.94 . . . . 0.0 109.802 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.92 -40.11 91.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 109.784 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.09 99.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 109.788 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -62.15 -41.03 97.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.836 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.05 96.25 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.141 -0.974 . . . . 0.0 108.937 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -69.06 -40.17 78.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 110.055 -179.589 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -100.29 2.6 42.79 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.346 -0.846 . . . . 0.0 110.507 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.21 46.52 26.35 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -118.51 151.91 50.34 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.185 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.91 150.21 60.83 Favored 'Trans proline' 0 N--CA 1.49 1.312 0 C-N-CA 121.407 1.405 . . . . 0.0 111.083 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -42.44 -18.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.877 1.718 . . . . 0.0 111.842 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.3 t -60.12 -51.58 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.06 -1.025 . . . . 0.0 110.933 -178.321 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.03 -40.21 80.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.93 -1.106 . . . . 0.0 109.096 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.82 97.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.443 -0.786 . . . . 0.0 109.823 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -61.53 -40.08 93.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.021 -1.049 . . . . 0.0 110.275 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.11 -41.22 92.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.896 -1.128 . . . . 0.0 109.668 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.41 -40.15 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.021 -1.049 . . . . 0.0 108.548 179.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.06 -41.34 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.488 -0.757 . . . . 0.0 109.199 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.1 -31.52 69.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.336 -0.853 . . . . 0.0 109.466 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -73.18 -37.32 66.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.3 t -74.02 111.39 9.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.102 -0.999 . . . . 0.0 108.831 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.21 -39.98 88.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.97 -40.03 87.69 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 110.409 -179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.57 -33.35 60.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.839 -1.163 . . . . 0.0 110.438 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.18 -0.95 . . . . 0.0 110.948 -177.726 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.487 0.661 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.55 -40.2 93.83 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.637 -0.665 . . . . 0.0 110.327 -179.414 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.04 -40.22 94.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 110.523 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.0 98.68 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -40.11 82.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.726 -0.867 . . . . 0.0 110.101 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.02 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.211 -0.93 . . . . 0.0 110.442 -179.061 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -68.25 -39.99 82.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.923 -1.111 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.35 63.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.58 140.01 58.18 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.088 -1.008 . . . . 0.0 109.749 -179.152 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.88 158.7 9.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.523 -0.736 . . . . 0.0 109.25 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 42.6 tt0 -46.85 157.49 0.15 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.826 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.1 t60 -67.22 67.56 0.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 109.741 -179.383 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 67.7 mm-40 -82.33 -165.16 0.95 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.308 -0.87 . . . . 0.0 109.88 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.02 -28.72 65.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.388 -0.82 . . . . 0.0 109.629 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -59.79 -33.96 72.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.524 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.03 -40.4 89.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.636 -1.29 . . . . 0.0 108.787 -179.444 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -61.15 -43.2 99.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.939 -1.101 . . . . 0.0 108.475 179.059 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -94.23 81.84 4.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.212 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.206 -0.934 . . . . 0.0 109.88 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -60.76 -40.09 91.19 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.48 -41.01 98.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.915 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.17 96.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.069 -1.02 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -68.93 -40.12 79.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.186 -0.946 . . . . 0.0 109.738 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -61.61 -40.0 93.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.266 -0.896 . . . . 0.0 109.94 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.11 2.31 43.03 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.36 -0.838 . . . . 0.0 110.53 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 53.49 46.32 26.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 110.362 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.4 151.74 49.95 Favored Pre-proline 0 N--CA 1.504 2.274 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.7 Cg_endo -70.73 150.01 61.59 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.482 1.455 . . . . 0.0 111.179 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -42.14 -18.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.836 1.691 . . . . 0.0 111.753 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.0 t -59.68 -51.74 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.045 -1.035 . . . . 0.0 111.087 -178.279 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.29 -39.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.076 -1.015 . . . . 0.0 109.183 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.71 97.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.425 -0.797 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -61.84 -39.82 93.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.03 -41.57 92.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.557 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.18 -40.06 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.959 -1.088 . . . . 0.0 108.666 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.1 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.456 -0.777 . . . . 0.0 109.305 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.63 69.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -73.17 -37.47 66.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.451 -0.781 . . . . 0.0 109.516 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -73.96 111.19 8.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.176 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.09 -39.94 87.87 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 110.171 -179.239 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.82 -33.23 60.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.879 -1.138 . . . . 0.0 110.487 -179.487 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 110.947 -177.722 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.455 0.645 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.81 -40.43 92.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.0 110.089 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.02 -40.3 96.03 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.311 -179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -33.31 73.06 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.48 -39.22 80.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.613 -0.934 . . . . 0.0 110.093 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.17 -46.87 88.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.094 -1.004 . . . . 0.0 109.443 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -68.95 -40.51 78.89 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.754 -0.779 . . . . 0.0 110.118 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.34 68.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.875 . . . . 0.0 110.333 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -61.27 140.13 58.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 110.35 -178.533 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.39 172.79 4.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 13' ' ' GLU . 78.4 mm-40 -54.99 162.25 1.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 -179.297 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -65.32 72.57 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.475 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.8 tt0 -79.21 169.96 17.35 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -27.62 69.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 108.79 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.64 -26.17 61.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.201 -0.937 . . . . 0.0 109.09 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -60.21 -39.94 88.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.034 -1.041 . . . . 0.0 108.556 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.38 -41.39 97.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.961 -1.087 . . . . 0.0 109.062 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -92.73 83.56 4.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 108.961 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.1 p-90 -70.31 -25.95 63.56 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.471 -0.768 . . . . 0.0 109.495 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -61.14 -39.22 89.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.828 . . . . 0.0 109.804 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.49 97.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.433 ' SD ' HD12 ' A' ' 36' ' ' ILE . 37.4 ttm -60.37 -47.87 84.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.225 -0.922 . . . . 0.0 109.653 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.56 -40.17 96.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.147 -0.971 . . . . 0.0 109.41 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 t -68.91 -40.25 79.23 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.413 -0.804 . . . . 0.0 109.965 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.58 -40.14 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.16 -0.963 . . . . 0.0 109.935 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.41 -0.27 26.22 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.212 -0.93 . . . . 0.0 110.46 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.85 41.61 32.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.248 -0.907 . . . . 0.0 110.453 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 mt -107.18 136.43 19.51 Favored Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.125 -0.984 . . . . 0.0 108.678 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_exo -44.91 142.65 5.06 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.488 1.459 . . . . 0.0 111.393 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.83 -17.35 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.864 1.709 . . . . 0.0 112.292 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' PRO . 96.0 t -59.63 -50.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.877 -178.457 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.69 -45.63 91.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.896 -1.127 . . . . 0.0 108.886 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.91 -48.23 82.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.907 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.38 -39.28 92.67 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.998 -1.064 . . . . 0.0 110.418 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -60.82 -40.27 92.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.274 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.3 mt -64.76 -40.24 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.933 -1.104 . . . . 0.0 108.852 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 33' ' ' ALA . 67.3 t -62.73 -40.31 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.354 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -29.73 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 110.067 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -73.66 -34.04 64.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.131 -0.98 . . . . 0.0 109.954 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.79 116.53 15.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.002 -1.061 . . . . 0.0 108.316 179.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.64 -39.84 89.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.314 -0.866 . . . . 0.0 109.947 -179.021 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.98 -39.48 89.81 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 110.007 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.0 m -76.21 -38.79 55.99 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.987 -1.071 . . . . 0.0 110.475 -179.212 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.301 -1.538 0 O-C-N 121.425 -0.797 . . . . 0.0 109.761 -177.77 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.315 0.579 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.45 -40.55 94.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.81 -40.23 96.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.396 -0.815 . . . . 0.0 110.396 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 -33.48 68.17 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -67.8 -39.63 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.487 -1.007 . . . . 0.0 109.696 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.55 -46.98 87.29 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.576 -179.132 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -68.89 -40.07 79.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.376 -0.827 . . . . 0.0 109.977 -179.284 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.85 67.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.294 -0.879 . . . . 0.0 110.341 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -61.84 140.18 58.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.0 110.584 -178.385 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -172.82 174.4 3.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' B' ' 13' ' ' GLU . 77.4 mm-40 -56.95 162.1 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.0 109.802 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.94 72.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.119 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 11' ' ' GLU . 62.5 tt0 -79.25 171.01 15.78 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.08 -27.69 69.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 108.661 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -56.79 -26.92 58.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.152 -0.968 . . . . 0.0 108.991 179.383 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -59.87 -40.27 88.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.864 -1.147 . . . . 0.0 108.722 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -61.52 -40.39 94.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.986 -1.071 . . . . 0.0 109.296 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -93.26 83.33 4.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.27 -0.894 . . . . 0.0 109.28 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -70.05 -26.18 63.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.024 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -60.96 -39.9 91.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.349 -0.844 . . . . 0.0 109.682 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.71 94.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.245 -0.909 . . . . 0.0 109.264 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.414 ' SD ' HD12 ' B' ' 36' ' ' ILE . 38.6 ttm -60.22 -48.96 79.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 109.651 179.523 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -61.59 -40.01 93.26 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.317 -0.865 . . . . 0.0 109.414 -179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -69.09 -40.05 78.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.868 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.85 -40.83 94.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.118 -0.989 . . . . 0.0 110.013 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -105.02 -0.5 26.74 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.309 -0.869 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.06 40.86 32.06 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.21 -0.931 . . . . 0.0 110.72 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.28 135.92 19.41 Favored Pre-proline 0 N--CA 1.504 2.247 0 O-C-N 121.131 -0.98 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' B' ' 31' ' ' VAL . 86.3 Cg_exo -44.44 142.77 4.26 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.446 1.431 . . . . 0.0 111.536 179.331 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -42.13 -17.24 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.926 1.751 . . . . 0.0 112.054 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.0 t -59.79 -50.52 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 110.661 -178.322 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.77 -45.74 90.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.008 -1.057 . . . . 0.0 109.041 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.84 -48.52 81.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 110.039 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.79 -39.69 92.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 110.199 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.56 -39.96 89.9 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.797 -179.312 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.414 HD12 ' SD ' ' B' ' 22' ' ' MET . 82.8 mt -65.46 -39.98 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.862 -1.149 . . . . 0.0 108.807 179.677 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 33' ' ' ALA . 80.9 t -62.82 -39.94 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.9 67.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.507 -0.746 . . . . 0.0 110.266 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -74.82 -33.53 62.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.071 -1.018 . . . . 0.0 109.826 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 t -74.04 116.71 14.98 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.015 -1.053 . . . . 0.0 108.454 179.212 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 0.0 109.86 -179.104 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.07 -39.67 93.19 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.467 -0.77 . . . . 0.0 110.254 -178.844 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.6 -39.03 58.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.868 -1.145 . . . . 0.0 110.27 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.534 -0.729 . . . . 0.0 110.113 -177.832 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.632 0.73 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.6 -40.05 90.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.537 -0.727 . . . . 0.0 109.932 -178.821 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.33 -40.6 97.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.142 -0.974 . . . . 0.0 110.175 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -36.58 92.44 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.712 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.43 -40.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.429 -1.042 . . . . 0.0 110.398 -179.421 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -52.53 64.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.025 -1.047 . . . . 0.0 109.922 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -69.66 -39.99 76.71 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.515 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.42 76.33 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.693 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.89 134.54 56.38 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -148.34 -164.99 2.15 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.915 -1.116 . . . . 0.0 109.433 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' GLU . 37.4 tt0 -72.27 148.43 45.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.176 -0.953 . . . . 0.0 109.161 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 69.7 t60 -67.45 69.99 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.302 -0.874 . . . . 0.0 109.169 -179.813 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 tp10 -100.95 -151.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.514 -0.742 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' GLU . 44.1 mtpt -70.41 -28.82 65.37 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.572 -0.705 . . . . 0.0 109.862 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.57 -39.77 85.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.252 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -59.84 -40.22 87.78 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.851 -1.156 . . . . 0.0 108.475 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -61.69 -40.9 96.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.945 -1.097 . . . . 0.0 109.558 179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.89 85.48 3.79 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -70.06 -26.49 64.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.51 -39.92 89.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.127 -0.983 . . . . 0.0 109.154 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.52 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.062 -1.024 . . . . 0.0 109.005 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.7 ttm -60.0 -48.81 80.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.433 -0.792 . . . . 0.0 109.762 -179.211 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -61.33 -45.47 94.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.324 -0.86 . . . . 0.0 109.447 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.203 -0.936 . . . . 0.0 109.86 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -62.36 -42.33 99.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.637 -0.664 . . . . 0.0 110.669 -178.446 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -103.5 2.24 33.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.501 -0.749 . . . . 0.0 110.137 -178.663 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.7 m120 56.13 42.18 28.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.531 -0.731 . . . . 0.0 110.538 179.168 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 69.9 mt -111.9 150.23 42.03 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.961 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.7 Cg_endo -66.42 148.16 83.67 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 121.56 1.507 . . . . 0.0 111.269 -179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.01 -20.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.43 2.087 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.7 t -59.69 -50.22 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 110.449 -178.073 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.49 -42.13 83.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 120.896 -1.128 . . . . 0.0 109.11 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.39 74.44 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.561 -0.855 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.8 -39.83 95.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 110.375 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.81 -41.59 95.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.835 -1.166 . . . . 0.0 109.585 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.69 -40.25 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.015 -1.053 . . . . 0.0 108.534 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.19 -39.67 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.642 -0.661 . . . . 0.0 109.265 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.68 67.92 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.31 -0.869 . . . . 0.0 109.642 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.7 m -69.93 -37.29 75.84 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.72 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.8 t -73.58 110.97 8.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.958 . . . . 0.0 109.563 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.93 -40.26 88.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.29 -39.4 86.77 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.106 -0.996 . . . . 0.0 109.755 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.7 m -78.41 -21.25 49.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.237 -0.915 . . . . 0.0 110.077 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.12 -0.987 . . . . 0.0 111.297 -177.947 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.09 -40.31 93.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.626 -0.671 . . . . 0.0 109.582 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.39 -41.77 98.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.301 -0.875 . . . . 0.0 110.439 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.62 92.25 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.64 -41.01 87.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.421 -1.047 . . . . 0.0 110.34 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.32 -52.02 67.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.966 -1.084 . . . . 0.0 110.28 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.44 -40.63 77.1 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.336 -0.852 . . . . 0.0 109.12 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.29 78.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.473 -0.767 . . . . 0.0 110.299 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.05 132.6 51.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.813 -1.179 . . . . 0.0 109.039 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -145.37 -164.9 2.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.118 -0.989 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.4 tt0 -72.91 146.94 45.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.979 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 65.0 t60 -66.25 70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 109.041 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 11' ' ' GLU . 3.9 tp10 -101.91 -151.63 0.42 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 49.8 mtpt -70.38 -28.81 65.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.92 -39.41 85.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 0.0 110.14 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -59.75 -40.03 86.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.782 -1.199 . . . . 0.0 108.683 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.0 p -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.978 -1.076 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -95.21 85.49 4.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.043 . . . . 0.0 109.696 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -70.04 -27.1 64.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.266 -0.897 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.06 -40.38 89.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.852 -1.155 . . . . 0.0 109.189 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.17 87.23 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.117 -0.99 . . . . 0.0 109.192 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.2 -49.83 76.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 -179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.14 -44.58 94.85 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -40.34 95.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.358 -0.839 . . . . 0.0 109.954 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 25' ' ' ASP . 56.1 t0 -62.54 -40.51 97.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 110.639 -178.632 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -105.1 2.67 29.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.395 -0.816 . . . . 0.0 109.844 -179.028 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.3 m120 55.29 42.62 30.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 0.0 110.379 178.883 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 70.1 mt -112.34 150.91 43.28 Favored Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.405 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.1 Cg_endo -66.34 147.8 83.51 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.763 1.642 . . . . 0.0 111.253 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.02 -20.58 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.284 1.99 . . . . 0.0 112.638 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' B' ' 29' ' ' PRO . 71.6 t -59.41 -51.43 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.079 -1.013 . . . . 0.0 110.37 -178.273 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.46 -42.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.63 76.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.393 -0.817 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.04 -1.038 . . . . 0.0 109.815 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.95 -40.89 95.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.005 -1.059 . . . . 0.0 109.692 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 108.676 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.38 -39.21 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.419 -0.801 . . . . 0.0 109.393 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.51 68.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.3 m -70.54 -37.85 74.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.374 -0.829 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.64 111.15 7.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.005 -1.059 . . . . 0.0 109.219 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.22 -40.36 89.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.387 -0.82 . . . . 0.0 110.549 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.46 -40.33 86.55 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 109.86 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 86.1 m -78.42 -20.07 51.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 0.0 110.206 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.498 1.97 0 O-C-N 121.099 -1.001 . . . . 0.0 110.727 -178.016 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.175 0.512 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.27 -40.27 93.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.343 -0.848 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.15 -45.36 88.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 110.019 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.1 -38.73 94.79 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.75 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.433 -1.04 . . . . 0.0 110.28 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.11 -48.93 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.948 -1.095 . . . . 0.0 109.857 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.68 -40.06 80.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.114 -0.991 . . . . 0.0 109.125 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -30.22 67.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.664 -0.648 . . . . 0.0 110.261 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -62.55 135.37 57.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 109.573 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -159.4 162.73 35.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.646 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 39.8 tt0 -46.53 156.45 0.18 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.262 -0.899 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 79.3 t60 -65.19 66.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 56.3 tt0 -80.46 176.35 9.86 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.691 -0.631 . . . . 0.0 109.82 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 97.2 mttt -62.64 -26.72 68.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 0.0 109.189 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -58.09 -30.33 66.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -59.93 -40.77 90.06 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.641 -1.287 . . . . 0.0 109.236 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -61.58 -41.24 97.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.984 -1.072 . . . . 0.0 108.582 179.397 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -93.0 81.19 4.57 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -69.93 -25.69 63.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 109.715 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -60.07 -41.02 91.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.816 -178.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.32 99.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.127 -0.983 . . . . 0.0 109.335 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -64.77 -41.25 96.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.73 -40.18 94.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.271 -0.893 . . . . 0.0 109.147 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 t -69.07 -39.95 78.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.533 -0.73 . . . . 0.0 109.943 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.74 -39.93 93.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.505 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -100.1 0.4 40.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.0 109.888 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.8 m120 52.32 46.96 25.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.17 -0.956 . . . . 0.0 110.259 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.75 151.37 44.6 Favored Pre-proline 0 N--CA 1.499 1.997 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.262 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.9 Cg_endo -70.2 149.54 64.25 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 121.524 1.483 . . . . 0.0 110.835 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.74 -20.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.84 1.693 . . . . 0.0 112.364 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' PRO . 97.7 t -56.48 -58.63 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.838 -1.164 . . . . 0.0 110.634 -178.835 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.64 -42.16 94.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.144 -0.973 . . . . 0.0 109.173 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.61 95.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.833 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.18 -40.03 95.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 109.638 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 2.8 tm-20 -60.94 -40.53 93.6 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.2 -39.98 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.042 . . . . 0.0 109.122 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.04 -39.89 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.63 69.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.578 -0.701 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.415 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 75.6 m -70.35 -39.54 74.59 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.215 -0.928 . . . . 0.0 109.156 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -76.11 109.45 9.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.911 . . . . 0.0 109.376 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.68 -39.88 90.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.426 -0.796 . . . . 0.0 111.089 -179.741 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.43 -39.87 84.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.983 -1.073 . . . . 0.0 109.274 -178.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 72.6 m -76.92 -34.52 57.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 0.0 110.121 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.162 -0.961 . . . . 0.0 111.694 -177.681 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.3 0.572 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.17 -40.59 94.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 0.0 110.236 -179.404 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.05 -45.44 88.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.149 -0.97 . . . . 0.0 110.005 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -38.94 94.84 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.84 -40.18 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.452 -1.028 . . . . 0.0 110.49 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.03 -49.23 78.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.027 -1.046 . . . . 0.0 109.87 -179.044 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.37 -40.16 81.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.7 -30.09 67.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.671 -0.643 . . . . 0.0 110.434 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -62.56 135.39 57.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.065 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -159.25 163.06 36.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.0 109.669 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.7 tt0 -47.18 156.38 0.24 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.114 -0.991 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.2 t60 -65.01 66.65 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.203 -0.936 . . . . 0.0 109.62 -179.231 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.7 tt0 -80.58 176.44 9.79 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.343 0.592 . . . . 0.0 109.781 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 14' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 97.7 mttt -62.79 -26.65 68.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.849 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -58.31 -30.11 66.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 0.0 109.981 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -59.99 -40.82 90.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.636 -1.29 . . . . 0.0 109.195 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.54 -41.16 96.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.869 -1.144 . . . . 0.0 108.658 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -92.97 80.75 4.58 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.77 -25.66 63.91 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.616 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -60.03 -40.8 90.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.162 -0.961 . . . . 0.0 110.021 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.272 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 54.4 ttp -64.9 -41.1 95.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 0.0 109.743 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.166 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -69.47 -40.02 77.37 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.49 -40.09 93.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.0 109.569 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -99.93 0.33 40.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.295 -0.878 . . . . 0.0 109.874 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 52.35 46.96 25.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.249 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -113.75 151.32 44.56 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.8 Cg_endo -70.18 149.55 64.37 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 121.571 1.514 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -40.6 -20.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.964 1.776 . . . . 0.0 112.413 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 29' ' ' PRO . 89.5 t -56.24 -58.75 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 110.726 -178.874 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.58 -42.12 94.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.168 -0.958 . . . . 0.0 109.165 -179.064 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.61 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.288 -0.883 . . . . 0.0 109.923 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.23 -39.94 95.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.612 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 2.8 tm-20 -61.19 -40.32 93.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.136 -0.978 . . . . 0.0 110.191 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.17 -40.15 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.017 -1.052 . . . . 0.0 109.004 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.0 -39.85 86.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.55 -30.65 69.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.576 -0.702 . . . . 0.0 109.521 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 74.7 m -70.32 -39.49 74.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -0.955 . . . . 0.0 109.219 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.28 109.48 10.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.267 -0.896 . . . . 0.0 109.402 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.64 -39.91 90.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.776 . . . . 0.0 110.976 -179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.47 -39.93 85.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.932 -1.105 . . . . 0.0 109.317 -178.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 70.9 m -76.74 -34.46 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 110.21 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 111.823 -177.724 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.29 0.566 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.26 -40.47 90.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.189 -0.944 . . . . 0.0 110.8 -179.373 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.72 -43.5 97.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.108 -0.995 . . . . 0.0 110.357 -178.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -33.74 88.08 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.32 -39.77 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.469 -1.018 . . . . 0.0 110.321 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -60.54 -50.2 74.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.711 -1.243 . . . . 0.0 109.879 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.2 -40.82 94.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.637 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.07 68.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.57 -0.706 . . . . 0.0 110.354 -179.496 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.14 138.8 58.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.243 -0.911 . . . . 0.0 110.489 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.93 -178.6 4.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.439 -0.788 . . . . 0.0 109.741 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 64.8 mm-40 -61.72 150.68 36.03 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.342 -0.849 . . . . 0.0 108.855 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.1 t60 -65.96 77.64 0.08 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.9 mm-40 -96.02 -164.8 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.647 0.737 . . . . 0.0 109.838 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.38 -27.59 65.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.691 -0.631 . . . . 0.0 109.847 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -59.77 -32.46 70.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 109.609 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.34 -39.7 88.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.953 -1.092 . . . . 0.0 109.07 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 p -61.8 -42.15 98.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.591 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -93.44 89.51 6.34 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.139 -0.975 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -70.53 -28.35 64.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.065 -1.022 . . . . 0.0 109.862 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.178 -0.951 . . . . 0.0 109.785 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.07 93.71 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.228 -0.92 . . . . 0.0 109.774 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 110.191 -179.256 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.24 -42.4 99.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.128 -0.983 . . . . 0.0 109.856 -179.332 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -69.09 -40.06 78.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.402 -0.811 . . . . 0.0 109.949 -179.672 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.34 -40.54 91.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.897 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -106.11 1.45 26.3 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.698 -0.626 . . . . 0.0 110.245 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' ALA . 92.9 m-20 54.21 44.92 28.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.213 -0.93 . . . . 0.0 110.539 179.667 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 65.5 mt -113.49 150.88 43.91 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.8 Cg_endo -67.55 149.38 79.69 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.748 1.632 . . . . 0.0 111.482 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.81 -21.15 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.271 1.981 . . . . 0.0 112.82 -179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.4 t -59.06 -54.22 37.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 120.971 -1.081 . . . . 0.0 110.65 -178.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.19 -42.05 90.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.791 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.96 81.56 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.388 -0.82 . . . . 0.0 109.938 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.986 -1.071 . . . . 0.0 110.007 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.1 -41.04 91.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.89 -1.131 . . . . 0.0 109.19 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.79 -40.53 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.801 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.08 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.53 -30.03 68.74 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.733 -0.605 . . . . 0.0 109.46 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -71.31 -39.09 71.65 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.321 -0.862 . . . . 0.0 109.165 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.5 t -73.71 111.68 9.08 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.284 -0.885 . . . . 0.0 109.01 178.868 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.81 -40.19 91.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 110.274 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.73 -39.92 86.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.425 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 62.1 m -76.49 -32.35 58.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.888 -1.132 . . . . 0.0 109.819 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.342 -0.848 . . . . 0.0 110.486 -178.333 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.421 0.629 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.43 -41.0 96.5 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.472 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.07 -42.79 95.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 110.753 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -34.02 88.79 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.24 -40.45 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -1.083 . . . . 0.0 110.19 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.39 -49.52 77.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.591 -1.318 . . . . 0.0 109.895 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.57 -40.51 92.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 0.0 109.854 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.71 66.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.656 -0.653 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.56 138.12 57.84 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.218 -0.926 . . . . 0.0 109.97 -178.657 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.8 -177.03 4.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.0 109.692 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 13' ' ' GLU . 67.3 mm-40 -62.33 150.07 40.46 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.288 -0.882 . . . . 0.0 109.325 -179.842 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 71.6 t60 -65.83 77.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.3 mm-40 -97.22 -165.42 1.26 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.513 -0.742 . . . . 0.0 109.656 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.08 -27.86 65.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.593 -0.692 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -58.33 -33.83 69.94 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.0 109.168 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -59.31 -40.81 87.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.675 -1.266 . . . . 0.0 108.589 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -59.87 -43.98 94.41 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.911 -1.118 . . . . 0.0 109.884 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.31 92.07 7.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.938 -1.101 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -72.01 -26.81 62.37 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 110.13 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.07 -39.54 90.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.11 -0.994 . . . . 0.0 109.435 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.58 96.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.105 -0.997 . . . . 0.0 109.707 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.6 ttm -62.62 -43.66 98.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.882 . . . . 0.0 110.042 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.59 -42.02 99.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.983 . . . . 0.0 109.732 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -68.92 -39.7 79.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.591 -0.693 . . . . 0.0 110.01 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.45 -40.97 96.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.139 -0.976 . . . . 0.0 109.684 -178.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.03 2.85 29.93 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.581 -0.699 . . . . 0.0 110.177 -179.327 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 23' ' ' ALA . 91.1 m-20 52.89 46.2 27.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.149 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 63.1 mt -115.81 150.23 44.54 Favored Pre-proline 0 N--CA 1.502 2.147 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.042 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.6 Cg_endo -66.8 146.73 79.34 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.746 1.631 . . . . 0.0 111.806 -179.574 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -39.74 -21.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.252 1.968 . . . . 0.0 112.356 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.8 t -58.07 -55.6 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.164 -0.96 . . . . 0.0 110.076 -178.411 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.45 -41.6 91.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.021 -1.049 . . . . 0.0 109.221 -179.573 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.41 86.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.046 -1.034 . . . . 0.0 109.758 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.5 -39.33 91.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.888 -1.132 . . . . 0.0 110.106 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.71 -40.88 93.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.114 . . . . 0.0 108.988 -179.437 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.42 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.198 -0.939 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.54 -40.21 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.367 -0.833 . . . . 0.0 108.757 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.23 69.0 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.722 -0.612 . . . . 0.0 109.523 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -71.73 -39.68 69.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.455 -0.778 . . . . 0.0 109.36 -179.302 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.66 111.24 8.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.108 -0.995 . . . . 0.0 108.445 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -60.0 -39.82 87.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.343 -0.848 . . . . 0.0 110.495 -179.299 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.07 -39.63 86.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 110.303 -178.044 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.53 -32.53 58.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.025 -1.047 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 . . . . . 0 N--CA 1.487 1.425 0 O-C-N 121.518 -0.739 . . . . 0.0 110.439 -178.337 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.21 -41.54 98.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.42 -0.8 . . . . 0.0 110.593 -179.457 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.37 -41.83 96.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.114 -0.991 . . . . 0.0 110.082 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -36.56 93.58 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -68.01 -40.12 82.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.586 -0.949 . . . . 0.0 110.299 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -59.79 -45.89 90.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.052 -1.03 . . . . 0.0 109.699 -179.155 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.72 -40.88 75.96 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.054 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.479 -0.763 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.27 138.84 58.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.995 -1.066 . . . . 0.0 109.693 -178.26 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -165.0 -175.09 3.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.011 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -62.69 159.73 15.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.11 -0.994 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.482 ' ND1' ' SG ' ' A' ' 43' ' ' CYS . 74.3 t60 -71.74 86.85 0.95 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.1 -179.354 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -101.13 -166.64 1.33 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.397 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -70.26 -25.81 63.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.377 -0.827 . . . . 0.0 108.849 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.96 -34.41 73.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.643 -0.661 . . . . 0.0 109.866 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -58.82 -39.12 80.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.885 -1.135 . . . . 0.0 108.985 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -60.37 -43.79 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.858 -1.151 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -94.49 90.84 6.35 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.022 -1.049 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -71.4 -22.82 61.81 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.697 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -63.64 -39.82 95.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.164 -178.93 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.11 94.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 ttm -62.46 -45.83 91.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.786 -179.617 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.47 -41.86 98.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 109.587 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -65.61 -40.37 92.54 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.138 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -64.24 -40.12 95.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 110.881 -179.183 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.29 1.43 38.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.25 -0.906 . . . . 0.0 110.319 -179.263 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.48 49.06 20.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 53.4 mt -117.68 152.58 49.97 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 150.91 68.73 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.04 1.827 . . . . 0.0 111.488 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -44.25 -20.65 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.88 1.72 . . . . 0.0 112.402 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.06 -50.19 81.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.67 -44.42 82.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 120.773 -1.204 . . . . 0.0 109.314 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.42 96.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.258 -0.901 . . . . 0.0 109.948 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -65.29 -40.21 93.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.953 -1.092 . . . . 0.0 109.804 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.16 -41.46 96.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.899 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.96 -40.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.996 -1.065 . . . . 0.0 109.563 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.84 -39.83 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.202 -0.936 . . . . 0.0 108.88 179.523 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -27.8 67.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.915 -179.75 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -72.6 -36.96 68.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.082 -1.011 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -72.81 114.9 11.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.0 109.135 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.32 -40.09 92.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.297 -0.877 . . . . 0.0 110.668 -179.525 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.54 -40.33 86.86 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 110.011 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.482 ' SG ' ' ND1' ' A' ' 12' ' ' HIS . 33.9 m -78.07 -34.17 50.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.09 -1.006 . . . . 0.0 110.431 -179.398 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.363 -0.835 . . . . 0.0 111.366 -178.042 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.09 -40.54 94.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.5 -0.75 . . . . 0.0 110.605 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -66.08 -41.31 90.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 -179.453 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -35.45 92.02 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.3 -39.96 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.462 -1.023 . . . . 0.0 110.264 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -60.07 -45.41 92.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.181 -0.949 . . . . 0.0 109.75 -179.015 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -69.83 -40.82 75.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.806 -1.184 . . . . 0.0 108.928 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.62 -37.02 73.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.447 -0.783 . . . . 0.0 110.774 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.86 139.44 58.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.55 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -166.01 -175.07 3.22 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.39 -0.819 . . . . 0.0 108.85 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 158.16 23.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.18 -0.95 . . . . 0.0 109.778 -179.706 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.53 ' ND1' ' SG ' ' B' ' 43' ' ' CYS . 72.8 t60 -71.09 84.92 0.72 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.269 -0.894 . . . . 0.0 110.317 -178.768 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -99.66 -165.57 1.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.457 -0.777 . . . . 0.0 109.511 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -70.84 -26.38 63.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.367 -0.833 . . . . 0.0 109.373 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -58.99 -33.58 70.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.261 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -59.65 -38.28 81.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 108.993 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.1 p -61.4 -43.46 98.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.954 -1.091 . . . . 0.0 109.534 179.59 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -94.48 88.56 5.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.442 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -69.91 -23.99 63.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.994 -1.066 . . . . 0.0 109.773 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -62.35 -40.14 95.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.995 -1.066 . . . . 0.0 110.082 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.24 91.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.962 -1.086 . . . . 0.0 109.528 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.7 ttm -63.58 -45.2 91.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.659 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.19 -42.47 99.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.523 -179.603 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.2 m -65.6 -40.33 92.55 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.528 -0.732 . . . . 0.0 110.458 -179.197 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 110.495 -178.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -101.18 0.72 38.12 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.334 -0.854 . . . . 0.0 110.423 -178.979 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.9 m120 54.07 49.65 18.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.259 -0.901 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.7 152.16 50.97 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.64 151.06 75.12 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.865 1.71 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -44.81 -20.08 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.794 1.662 . . . . 0.0 112.392 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -59.32 -50.54 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.763 -1.211 . . . . 0.0 110.636 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.78 -44.47 85.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.449 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.75 96.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.83 -40.14 95.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 109.654 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.78 -41.09 97.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.095 -1.003 . . . . 0.0 110.06 -179.582 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.29 -40.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.14 -0.975 . . . . 0.0 109.389 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.12 -39.8 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 108.927 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -26.56 65.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.496 -0.753 . . . . 0.0 109.738 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -74.33 -34.63 63.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 0.0 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.54 113.73 13.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.92 -1.113 . . . . 0.0 108.95 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.99 -39.7 90.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.243 -0.911 . . . . 0.0 110.528 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.033 -1.042 . . . . 0.0 109.748 -179.033 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.53 ' SG ' ' ND1' ' B' ' 12' ' ' HIS . 34.6 m -77.74 -35.4 51.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 110.181 -179.243 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.498 1.926 0 O-C-N 121.432 -0.793 . . . . 0.0 111.497 -178.151 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 32.5 m-85 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.499 0.666 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.98 -40.33 93.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.579 -0.701 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.45 -41.14 96.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.755 -178.561 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -33.48 86.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.59 -40.43 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.247 -1.149 . . . . 0.0 110.48 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.76 -47.4 85.82 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.262 -178.855 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.53 -40.8 76.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 109.663 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -28.46 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 -179.395 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.24 138.69 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.369 -0.832 . . . . 0.0 109.588 -178.363 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -164.66 165.67 20.73 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 108.835 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' GLU . 56.0 mp0 -58.49 161.97 4.12 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.127 -0.983 . . . . 0.0 109.168 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -69.47 70.46 0.28 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.192 -0.942 . . . . 0.0 109.219 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.1 mm-40 -88.98 -161.01 0.72 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.583 0.706 . . . . 0.0 109.673 -179.577 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -70.02 -28.42 65.47 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.561 -0.712 . . . . 0.0 109.398 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -59.95 -36.42 77.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.831 . . . . 0.0 109.869 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -60.11 -40.19 88.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.91 -1.119 . . . . 0.0 109.919 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -60.94 -41.64 96.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.585 -1.322 . . . . 0.0 109.533 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -95.45 87.58 4.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.124 -0.985 . . . . 0.0 109.007 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 p-90 -70.12 -28.45 65.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -60.92 -39.45 89.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.935 -1.103 . . . . 0.0 109.492 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.36 90.99 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 109.531 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.0 ttm -59.76 -46.24 89.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.867 . . . . 0.0 110.168 -179.544 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.19 -41.34 99.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.151 -0.968 . . . . 0.0 109.808 -179.509 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -69.19 -39.87 78.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 109.808 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.58 -40.62 92.41 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.391 -0.818 . . . . 0.0 110.115 -178.644 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -103.85 4.17 34.65 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.31 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 55.47 45.72 24.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.498 -0.752 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 63.0 mt -118.68 150.18 47.77 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' VAL . 36.8 Cg_endo -65.68 148.97 87.49 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.474 1.45 . . . . 0.0 111.289 -179.794 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.41 -20.56 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.585 2.19 . . . . 0.0 112.942 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 95.2 t -59.67 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.017 -1.052 . . . . 0.0 110.998 -177.934 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.99 -42.89 89.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 119.096 -1.042 . . . . 0.0 109.412 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.12 -45.33 92.5 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.421 -0.8 . . . . 0.0 109.892 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.79 -40.28 96.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.947 -1.095 . . . . 0.0 109.72 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.71 -41.59 95.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.113 -0.992 . . . . 0.0 109.748 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -66.11 -41.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.039 -1.038 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ALA . 78.2 t -63.53 -39.71 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -28.69 67.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.533 -0.73 . . . . 0.0 110.534 -179.088 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -74.99 -30.94 61.3 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.311 -0.868 . . . . 0.0 109.837 -178.647 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 t -74.28 118.24 17.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 108.965 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.87 -40.02 93.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.46 -0.775 . . . . 0.0 110.487 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.89 -39.73 86.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.209 -0.932 . . . . 0.0 110.048 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -72.31 -40.99 67.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.613 -0.679 . . . . 0.0 110.541 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.298 -1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 110.58 -177.933 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 34.5 m-85 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.498 0.666 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.84 -40.28 92.24 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.335 -179.467 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.24 -39.8 95.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.462 -0.774 . . . . 0.0 111.036 -178.953 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 -32.77 84.24 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -1.045 . . . . 0.0 110.329 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.26 -48.46 81.65 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 109.476 -178.685 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.91 . . . . 0.0 109.556 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.72 65.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 110.062 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 139.72 56.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -178.559 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -165.72 167.08 17.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.447 -0.783 . . . . 0.0 109.258 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' B' ' 13' ' ' GLU . 49.8 mp0 -59.9 157.58 12.24 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.586 -179.44 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.2 t60 -65.23 71.31 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.347 -0.846 . . . . 0.0 109.107 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 13' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' GLU . 52.9 mm-40 -90.49 -161.39 0.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.411 -0.806 . . . . 0.0 109.81 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.08 -28.16 66.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.461 -0.774 . . . . 0.0 109.333 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.06 -36.45 77.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.313 -0.867 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -60.33 -40.27 90.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.745 -1.222 . . . . 0.0 109.805 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 p -60.33 -41.47 93.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 109.213 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.01 88.79 4.99 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.479 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -70.79 -27.66 64.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.199 -0.938 . . . . 0.0 110.736 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -61.61 -40.11 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.02 -1.05 . . . . 0.0 109.357 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.03 91.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.622 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.76 -47.52 85.36 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.27 -0.894 . . . . 0.0 109.874 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.45 -40.72 97.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.601 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.5 t -69.52 -39.94 77.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.889 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.49 -40.03 89.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 -178.974 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.76 3.87 34.56 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 -179.133 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 55.84 45.87 23.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.551 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 72.7 mt -119.25 149.58 47.59 Favored Pre-proline 0 N--CA 1.498 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' VAL . 35.5 Cg_endo -66.13 149.85 85.43 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.633 1.555 . . . . 0.0 111.386 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.98 -20.77 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.736 2.291 . . . . 0.0 112.787 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 29' ' ' PRO . 99.2 t -59.52 -50.34 80.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.012 -1.055 . . . . 0.0 110.614 -177.87 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.43 -42.8 87.65 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.076 -1.015 . . . . 0.0 109.266 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -63.16 -45.65 90.87 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.922 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.23 -40.33 97.16 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.808 -1.182 . . . . 0.0 110.023 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -60.84 -40.43 92.81 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.051 -1.031 . . . . 0.0 109.878 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -67.42 -41.13 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.239 -0.913 . . . . 0.0 108.987 -179.507 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 33' ' ' ALA . 90.3 t -64.07 -39.2 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.103 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.5 67.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.458 -0.776 . . . . 0.0 110.265 -179.222 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.1 m -74.7 -30.84 61.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.962 -1.086 . . . . 0.0 109.713 -179.126 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -74.83 117.54 16.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.897 -1.127 . . . . 0.0 109.145 179.864 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.91 -40.0 91.5 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.91 -38.52 82.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 0.0 110.466 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.01 -39.51 63.56 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.397 -0.814 . . . . 0.0 110.331 -178.84 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.372 -0.83 . . . . 0.0 110.71 -177.941 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 62.6 m-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.46 -39.84 95.54 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.22 -0.925 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.12 -43.39 87.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.387 -0.821 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.16 -35.51 92.18 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.374 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.26 -39.84 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.139 -1.212 . . . . 0.0 110.856 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.72 -45.14 93.06 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 109.06 -178.368 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.41 -40.57 77.25 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.022 -1.049 . . . . 0.0 110.268 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.04 66.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.416 -0.803 . . . . 0.0 110.575 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.32 140.33 58.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 108.908 -179.216 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -170.86 169.47 6.82 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.994 0.902 . . . . 0.0 110.269 -179.293 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.01 149.77 3.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.773 0.797 . . . . 0.0 110.608 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.8 81.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.671 0.748 . . . . 0.0 110.012 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -100.82 -163.0 0.98 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.544 -0.723 . . . . 0.0 109.543 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.22 -25.32 63.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.422 -0.799 . . . . 0.0 109.435 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.685 -0.635 . . . . 0.0 109.562 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.25 -0.906 . . . . 0.0 108.808 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.3 p -60.81 -44.65 96.6 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.291 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -92.62 87.99 6.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.175 -0.953 . . . . 0.0 109.151 178.928 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -70.9 -27.95 64.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.27 -0.894 . . . . 0.0 109.714 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -41.12 90.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.924 . . . . 0.0 109.577 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.0 ttm -61.31 -48.71 80.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.345 -0.847 . . . . 0.0 110.284 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.13 -41.0 99.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -67.13 -40.03 86.73 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.007 -1.058 . . . . 0.0 109.428 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -61.9 -40.32 95.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 110.477 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -101.71 -2.77 29.47 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 110.134 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.2 m-20 54.27 48.43 20.8 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.0 110.733 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -119.05 146.12 39.64 Favored Pre-proline 0 N--CA 1.504 2.244 0 O-C-N 121.259 -0.901 . . . . 0.0 108.876 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' VAL . 75.2 Cg_exo -47.89 139.49 19.6 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.747 1.631 . . . . 0.0 111.262 178.408 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -42.16 -15.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.327 2.018 . . . . 0.0 111.516 179.097 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.6 t -60.01 -49.87 82.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.666 -0.647 . . . . 0.0 110.976 -177.827 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.97 -44.92 92.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.017 -1.052 . . . . 0.0 108.956 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.77 91.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 110.115 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.89 -39.86 95.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.813 -1.179 . . . . 0.0 110.672 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.703 -1.248 . . . . 0.0 109.63 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.85 -40.1 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.285 -0.884 . . . . 0.0 109.235 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.77 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.791 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.03 78.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.751 -0.593 . . . . 0.0 110.428 -179.368 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -71.88 -30.33 65.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.09 -1.006 . . . . 0.0 110.145 -178.311 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -72.93 111.64 8.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.209 -0.932 . . . . 0.0 108.566 179.637 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.11 -40.35 89.39 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.071 -1.018 . . . . 0.0 110.769 -178.819 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -59.64 -39.47 84.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.453 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.07 -39.84 60.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.022 . . . . 0.0 110.115 -178.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.581 -0.699 . . . . 0.0 111.095 -177.679 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' B' B ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 61.9 m-85 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.21 -40.54 96.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.339 -0.851 . . . . 0.0 110.317 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -65.47 -40.51 93.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.326 -179.111 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.72 -34.17 86.56 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.05 -39.83 82.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.819 -0.813 . . . . 0.0 110.993 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.92 -45.58 92.12 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.786 -1.196 . . . . 0.0 109.1 -178.48 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.77 -40.38 76.11 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.82 68.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.146 -0.971 . . . . 0.0 110.35 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.14 140.42 57.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -170.16 169.27 7.95 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 109.986 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.1 152.4 2.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.324 -0.86 . . . . 0.0 110.634 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -67.07 80.37 0.12 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -99.92 -162.72 0.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.37 -26.96 63.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 0.0 109.378 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.38 -37.11 77.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 -179.404 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -60.04 -40.05 88.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.81 -1.182 . . . . 0.0 109.432 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -60.95 -41.33 96.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.783 -1.198 . . . . 0.0 108.736 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -96.3 85.43 3.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.554 -0.716 . . . . 0.0 109.403 179.208 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -69.93 -26.6 64.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.153 -0.967 . . . . 0.0 110.635 -179.691 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.86 92.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.012 -1.055 . . . . 0.0 110.334 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.15 92.59 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.849 -1.157 . . . . 0.0 109.451 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.4 ttm -60.13 -47.32 86.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.035 -1.041 . . . . 0.0 110.105 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.62 -41.1 98.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.419 -0.8 . . . . 0.0 109.582 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -68.47 -39.45 81.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.281 -0.887 . . . . 0.0 109.363 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.24 -40.35 95.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 110.09 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.69 -3.85 27.52 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.382 -0.823 . . . . 0.0 110.153 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 2.2 m-20 55.99 48.66 17.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.62 145.61 39.53 Favored Pre-proline 0 N--CA 1.501 2.087 0 O-C-N 121.359 -0.838 . . . . 0.0 109.072 179.177 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 31' ' ' VAL . 72.9 Cg_exo -47.82 139.29 19.51 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.619 1.546 . . . . 0.0 111.701 178.454 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.61 -17.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.28 1.987 . . . . 0.0 111.744 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 29' ' ' PRO . 59.2 t -58.99 -49.33 83.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.664 -0.648 . . . . 0.0 110.749 -178.322 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.87 -43.12 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.009 -1.057 . . . . 0.0 109.428 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -64.54 -45.3 87.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.444 -0.785 . . . . 0.0 109.802 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.06 -40.03 96.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.025 -1.047 . . . . 0.0 110.338 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -61.09 -40.44 93.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.836 -1.165 . . . . 0.0 109.417 -179.464 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.79 -40.68 88.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 109.171 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 33' ' ' ALA . 78.3 t -63.35 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.62 70.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.704 -0.622 . . . . 0.0 110.223 -179.633 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -74.16 -30.3 62.19 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.695 -1.253 . . . . 0.0 109.708 -178.696 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.48 111.34 8.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 108.613 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.88 -40.48 88.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 110.17 -178.863 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.11 -40.24 89.01 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.044 -1.035 . . . . 0.0 110.131 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.6 m -74.28 -39.94 62.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.745 -1.222 . . . . 0.0 110.493 -179.253 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.835 . . . . 0.0 110.951 -177.592 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.431 0.634 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.53 -40.13 90.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.2 -40.69 98.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.203 -0.936 . . . . 0.0 110.234 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.43 98.03 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -65.73 -40.07 86.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.79 -0.83 . . . . 0.0 110.41 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.01 -48.38 81.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.067 . . . . 0.0 110.039 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -68.97 -40.05 79.1 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.945 -1.097 . . . . 0.0 109.387 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.87 65.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.85 . . . . 0.0 109.61 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.84 139.65 58.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.0 109.265 -179.216 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 2.8 tp10 -168.75 -170.03 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 13.0 pt-20 -73.58 161.49 30.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.98 -1.075 . . . . 0.0 109.618 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.64 79.61 0.82 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 109.615 -179.558 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -101.53 -151.44 0.41 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.397 -0.815 . . . . 0.0 109.998 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.06 -34.11 72.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 109.828 -179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.801 -179.126 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.22 -40.74 91.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.943 -1.098 . . . . 0.0 109.382 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -62.53 -45.38 93.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.985 -1.072 . . . . 0.0 108.94 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.77 88.63 4.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.384 -0.823 . . . . 0.0 109.311 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -69.94 -28.28 65.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.088 -1.008 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.117 -0.99 . . . . 0.0 109.301 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -61.79 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 0.0 110.15 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.02 -41.31 99.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.028 -1.045 . . . . 0.0 110.095 -179.269 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -69.44 -39.95 77.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 110.147 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.86 -39.99 91.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.203 -0.936 . . . . 0.0 110.144 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.01 1.44 42.49 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.311 -0.868 . . . . 0.0 109.956 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.96 43.43 27.3 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.36 -0.837 . . . . 0.0 110.255 179.337 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 67.4 mt -116.12 152.38 47.7 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.5 Cg_endo -70.6 149.8 62.07 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.538 1.492 . . . . 0.0 111.058 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.65 -17.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.015 1.81 . . . . 0.0 112.067 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.2 t -59.87 -50.07 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.138 -0.976 . . . . 0.0 110.606 -178.324 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.53 -43.22 83.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.792 -1.193 . . . . 0.0 109.317 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.99 94.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.29 -40.0 92.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.019 -1.051 . . . . 0.0 110.182 179.626 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.15 -40.25 89.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.98 -1.075 . . . . 0.0 109.912 -179.31 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.7 -40.0 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.095 -1.003 . . . . 0.0 108.75 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.11 -40.03 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.04 76.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.47 -0.769 . . . . 0.0 109.472 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -73.67 -40.17 63.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 110.447 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.14 113.38 16.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.006 -1.059 . . . . 0.0 108.962 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.13 -39.98 88.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 0.0 110.476 -179.213 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.39 -39.94 89.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 110.427 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -75.18 -36.31 61.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.97 -1.081 . . . . 0.0 109.922 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.579 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.0 tt0 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.423 -0.798 . . . . 0.0 110.652 -178.25 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.381 0.61 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.14 90.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 109.818 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.15 -40.71 98.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.285 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.4 98.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.69 -40.0 86.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.796 -0.826 . . . . 0.0 110.41 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.06 -48.44 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.057 . . . . 0.0 110.04 -179.106 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.02 -39.96 78.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.918 -1.114 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.05 -28.89 65.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.856 . . . . 0.0 109.685 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.79 139.54 58.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.247 -179.28 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 2.8 tp10 -168.65 -170.06 1.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 13.0 pt-20 -73.64 161.47 30.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.7 -179.678 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -71.58 79.48 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.655 -179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -101.37 -151.44 0.41 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.336 -0.852 . . . . 0.0 109.976 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.98 -34.31 73.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.752 . . . . 0.0 109.849 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -59.93 -39.96 87.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 109.767 -179.112 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.36 -40.9 92.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.007 -1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.29 -45.48 93.06 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.945 -1.097 . . . . 0.0 108.992 179.586 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -98.81 88.77 4.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.425 -0.797 . . . . 0.0 109.257 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -70.0 -28.3 65.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.53 -39.97 89.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.029 -179.454 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -61.85 -43.46 98.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.14 -179.708 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.97 -41.34 99.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.051 -1.031 . . . . 0.0 110.115 -179.284 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.2 t -69.35 -39.98 77.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.229 -0.919 . . . . 0.0 110.196 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.8 -40.07 91.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 110.142 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -99.99 1.42 42.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 -179.451 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 m120 55.89 43.56 27.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.442 -0.786 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 67.7 mt -116.26 152.39 47.87 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.78 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.3 Cg_endo -70.59 149.75 62.08 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.574 1.516 . . . . 0.0 111.118 179.749 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.57 -17.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.124 1.882 . . . . 0.0 111.964 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 29' ' ' PRO . 58.7 t -60.03 -49.99 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.116 -0.99 . . . . 0.0 110.615 -178.224 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.56 -43.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 120.833 -1.167 . . . . 0.0 109.343 -179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.98 94.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 109.605 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.35 -40.07 92.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.98 -1.075 . . . . 0.0 110.082 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.15 -40.17 88.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.037 -1.039 . . . . 0.0 110.013 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.63 -40.09 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.067 -1.02 . . . . 0.0 108.599 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.23 -39.95 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.474 -0.766 . . . . 0.0 108.965 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.27 -33.88 76.23 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.543 -0.723 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -73.77 -39.96 63.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.139 -0.976 . . . . 0.0 110.428 -179.174 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -78.17 113.25 15.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 0.0 108.958 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -60.08 -40.06 88.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.451 -179.277 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.31 -39.99 88.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.958 . . . . 0.0 110.384 -179.026 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.29 -36.15 61.2 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 109.94 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.579 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.395 -0.816 . . . . 0.0 110.696 -178.314 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.588 0.708 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 mt -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.456 -0.778 . . . . 0.0 110.031 -179.313 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.25 -41.28 99.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.93 -1.106 . . . . 0.0 109.659 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.79 -38.08 95.63 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.13 -40.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.792 -0.828 . . . . 0.0 110.298 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -60.15 -46.12 90.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 110.217 -178.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -44.33 81.27 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.34 75.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.0 110.369 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.36 123.86 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 110.049 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.31 -164.92 2.13 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 154.78 41.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.932 -1.105 . . . . 0.0 108.985 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.9 t60 -63.3 82.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.91 . . . . 0.0 110.318 -178.606 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -91.33 -172.43 3.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.621 -0.674 . . . . 0.0 109.27 179.578 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.8 -26.63 65.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.469 -0.769 . . . . 0.0 109.129 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -59.59 -33.54 71.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.35 -0.844 . . . . 0.0 109.506 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.93 -40.42 88.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.065 -1.022 . . . . 0.0 109.013 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -60.05 -44.03 94.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.924 -1.11 . . . . 0.0 108.812 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.22 92.53 7.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.37 -27.3 64.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.193 -0.942 . . . . 0.0 110.011 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.02 -40.17 92.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.218 -0.926 . . . . 0.0 110.161 -179.054 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.6 ttm -63.31 -42.18 98.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.856 . . . . 0.0 109.564 -179.804 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.17 -43.67 94.41 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -68.52 -40.18 80.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.269 -0.895 . . . . 0.0 110.104 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.157 -0.964 . . . . 0.0 110.22 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -101.88 0.05 34.85 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.475 -0.765 . . . . 0.0 109.902 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' ALA . 96.9 m-20 54.61 47.34 22.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.143 179.639 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 56.2 mt -119.23 150.29 48.94 Favored Pre-proline 0 N--CA 1.5 2.064 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.22 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.65 160.77 48.05 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.769 1.646 . . . . 0.0 111.158 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.9 -19.76 8.87 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.479 2.119 . . . . 0.0 111.797 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.88 -50.53 79.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.987 -1.07 . . . . 0.0 110.38 -178.603 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.97 -46.83 78.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.99 98.34 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 110.123 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -63.69 -39.82 95.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.704 -1.247 . . . . 0.0 109.584 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -60.46 -41.58 94.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.987 -1.071 . . . . 0.0 109.833 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.431 HD12 ' SD ' ' A' ' 22' ' ' MET . 80.7 mt -61.23 -40.16 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 108.632 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -39.8 83.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.21 80.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.671 -0.643 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -71.93 -39.82 69.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.123 -0.985 . . . . 0.0 110.478 -178.604 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.1 114.06 13.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.885 -1.134 . . . . 0.0 108.288 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.14 -40.25 89.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.213 -178.7 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -60.0 -40.11 88.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.088 -1.007 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 11.7 m -79.72 -37.24 36.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.35 -0.844 . . . . 0.0 111.378 -178.099 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.645 0.736 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.5 mt -59.99 -40.43 89.15 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.558 -0.713 . . . . 0.0 110.078 -179.524 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.44 -40.53 97.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.83 -1.169 . . . . 0.0 109.68 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.9 95.15 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 179.592 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.1 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.723 -0.869 . . . . 0.0 110.726 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -60.43 -45.24 94.36 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.789 -1.194 . . . . 0.0 110.328 -178.55 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.5 -43.71 80.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.623 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.81 74.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.596 -0.69 . . . . 0.0 110.244 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.19 124.42 20.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.01 . . . . 0.0 109.88 -178.66 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -148.54 -165.03 2.16 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 155.79 40.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 108.874 179.512 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -64.43 81.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.331 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -90.58 -172.77 3.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.372 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -68.48 -27.44 66.15 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -58.95 -33.43 70.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.317 -0.865 . . . . 0.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -59.9 -40.33 88.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.891 -1.13 . . . . 0.0 109.058 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -59.99 -43.83 94.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.801 -1.187 . . . . 0.0 108.606 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.44 92.58 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.36 -26.68 63.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.902 -1.124 . . . . 0.0 110.093 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.78 -40.4 95.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 -179.034 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.6 89.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.002 -1.061 . . . . 0.0 109.761 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.4 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.3 ttm -62.86 -42.58 99.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.58 -43.96 95.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.535 -0.728 . . . . 0.0 109.929 -179.539 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.5 t -69.0 -39.83 79.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.432 -0.793 . . . . 0.0 110.113 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -62.41 -40.0 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.736 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 -0.0 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.306 -0.871 . . . . 0.0 110.042 -179.801 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.1 m-20 55.04 47.09 22.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.346 -0.846 . . . . 0.0 110.09 179.568 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 59.1 mt -119.5 150.74 50.44 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.319 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.75 161.24 46.25 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 121.57 1.513 . . . . 0.0 111.069 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.24 -19.69 9.75 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.384 2.056 . . . . 0.0 111.63 -179.474 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.71 -50.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.819 -1.176 . . . . 0.0 110.308 -178.644 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.92 -45.71 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.011 -1.055 . . . . 0.0 109.509 -179.564 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.37 95.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -63.99 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.906 -1.121 . . . . 0.0 109.492 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.98 -41.97 93.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.016 . . . . 0.0 110.056 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.4 HD12 ' SD ' ' B' ' 22' ' ' MET . 76.3 mt -61.0 -40.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.116 -0.99 . . . . 0.0 108.638 179.447 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.06 -39.85 83.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.669 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.63 81.83 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.773 -0.579 . . . . 0.0 109.94 179.676 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -72.0 -40.16 68.73 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.085 -1.009 . . . . 0.0 110.411 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.8 113.57 12.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.721 -1.237 . . . . 0.0 108.319 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.05 -40.23 88.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.4 -0.813 . . . . 0.0 110.25 -178.682 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -60.29 -39.78 88.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.908 -1.12 . . . . 0.0 109.243 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 m -79.38 -38.36 35.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 110.07 179.677 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.17 -0.956 . . . . 0.0 111.311 -177.926 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.436 0.636 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.8 mt -59.85 -40.1 87.4 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.476 -0.765 . . . . 0.0 110.104 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.36 -40.39 95.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 110.398 -179.369 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.0 95.08 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.15 -39.32 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.742 -0.857 . . . . 0.0 110.032 179.827 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.074 -1.016 . . . . 0.0 110.368 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.05 -40.15 78.72 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.94 -1.1 . . . . 0.0 109.016 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.58 72.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.281 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.15 133.96 53.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 0.0 109.748 -179.147 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.85 -164.93 2.07 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.307 -0.871 . . . . 0.0 109.113 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -77.53 153.51 33.32 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.161 -0.962 . . . . 0.0 109.021 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -71.1 70.39 0.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.524 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.92 -150.97 0.41 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.628 -0.67 . . . . 0.0 109.313 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.06 -30.25 67.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.067 -1.021 . . . . 0.0 110.517 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -60.15 -38.39 83.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.896 -1.128 . . . . 0.0 109.95 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.931 -1.106 . . . . 0.0 109.365 -179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -61.88 -42.55 99.2 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.185 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -96.24 83.64 3.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -69.92 -25.2 63.56 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 109.156 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.79 -40.15 91.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.105 -0.997 . . . . 0.0 110.087 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.78 93.08 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.097 -1.002 . . . . 0.0 109.098 179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.6 ttp -64.61 -40.75 96.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.477 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.16 94.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.196 -0.94 . . . . 0.0 109.104 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.5 m -68.75 -39.79 80.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.483 -0.761 . . . . 0.0 110.54 -179.532 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 110.499 -178.883 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -100.56 1.24 40.71 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.286 -0.884 . . . . 0.0 109.883 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 55.38 47.25 21.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.381 -0.824 . . . . 0.0 109.696 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.96 149.95 46.37 Favored Pre-proline 0 N--CA 1.498 1.94 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.32 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.2 Cg_endo -70.5 148.85 61.16 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.683 1.589 . . . . 0.0 111.561 179.742 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -38.85 -25.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.367 179.226 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 66.5 t -53.07 -57.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.653 -0.654 . . . . 0.0 110.505 -178.741 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.36 -42.15 94.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.21 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.13 92.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.143 -0.973 . . . . 0.0 109.741 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.49 -39.76 88.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 110.208 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.24 -40.84 91.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.176 . . . . 0.0 109.267 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.56 -41.33 89.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.288 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.11 -40.28 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.895 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.52 80.58 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.666 -0.646 . . . . 0.0 109.538 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -72.29 -37.44 68.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.258 -0.901 . . . . 0.0 109.446 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.79 110.64 8.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.884 -1.135 . . . . 0.0 108.836 179.64 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.95 -40.54 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 110.367 -179.164 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -60.44 -40.71 92.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.515 -0.741 . . . . 0.0 110.357 -178.784 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.6 m -76.81 -31.03 56.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.965 -1.085 . . . . 0.0 109.908 -179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.845 . . . . 0.0 109.964 -179.357 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.355 0.598 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.03 -40.37 89.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.474 -0.766 . . . . 0.0 109.851 -178.951 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -63.36 -41.06 98.8 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -0.879 . . . . 0.0 110.355 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.55 94.69 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' B' ' 9' ' ' GLN . 73.3 mt -64.37 -39.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.547 -0.972 . . . . 0.0 109.904 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.076 -1.015 . . . . 0.0 110.451 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -68.31 -40.58 81.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.038 . . . . 0.0 108.855 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -33.54 73.23 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.557 -0.714 . . . . 0.0 110.225 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 5' ' ' ILE . 62.8 tt0 -64.26 133.96 53.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 109.816 -179.264 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.56 -165.0 2.07 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.202 -0.936 . . . . 0.0 109.085 179.689 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -77.08 156.93 31.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.327 -0.858 . . . . 0.0 109.058 179.595 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.05 69.98 1.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.511 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.62 -151.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.17 -30.28 67.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.01 -1.056 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -60.28 -38.3 83.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.072 -1.017 . . . . 0.0 109.776 -179.059 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -59.86 -40.37 88.38 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.08 -1.012 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.44 -41.75 97.68 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.992 -1.068 . . . . 0.0 108.408 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -97.14 83.2 3.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.384 -0.823 . . . . 0.0 108.866 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -69.82 -24.11 63.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.948 -1.095 . . . . 0.0 109.661 -179.643 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.79 -39.99 93.65 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.963 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.091 -1.006 . . . . 0.0 108.732 179.569 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.6 ttp -63.88 -40.29 96.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.051 -1.031 . . . . 0.0 109.439 179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.78 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.123 -0.986 . . . . 0.0 109.168 179.592 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.24 -39.87 78.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 110.563 -179.666 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.72 -40.04 93.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.69 -178.637 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.25 1.57 41.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.237 -0.914 . . . . 0.0 109.878 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 55.96 45.35 24.04 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.861 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -116.06 150.07 44.49 Favored Pre-proline 0 N--CA 1.503 2.179 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.478 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.4 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.6 1.533 . . . . 0.0 111.614 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.94 -25.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.614 2.21 . . . . 0.0 111.968 179.583 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -52.85 -56.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 110.683 -178.552 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.03 -41.3 91.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.003 -1.061 . . . . 0.0 109.848 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -60.9 -39.23 88.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.947 -1.096 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -60.35 -41.49 93.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 109.216 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.79 -41.49 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.69 -40.35 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.624 0.726 . . . . 0.0 109.059 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.98 80.41 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.673 0.749 . . . . 0.0 109.673 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 m -72.58 -37.62 68.11 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 109.68 -179.547 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.1 111.51 9.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.958 -1.089 . . . . 0.0 109.03 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -60.45 -39.99 89.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.511 -0.743 . . . . 0.0 110.522 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.99 -39.97 91.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.916 . . . . 0.0 110.565 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.3 m -76.88 -32.13 57.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.146 -0.971 . . . . 0.0 109.741 -179.349 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.346 -0.846 . . . . 0.0 109.984 -179.402 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.379 0.609 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.6 -39.93 92.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 0.0 110.387 -179.177 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.16 -40.51 94.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.062 -1.024 . . . . 0.0 110.628 -178.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -39.52 96.35 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.8 mt -68.75 -40.04 80.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.778 -0.836 . . . . 0.0 110.576 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -49.35 78.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.032 -1.042 . . . . 0.0 110.051 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.68 -40.17 92.09 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.968 -1.083 . . . . 0.0 108.49 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 -27.79 64.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.556 -0.715 . . . . 0.0 110.209 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.7 tt0 -60.51 138.79 57.97 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.547 -178.839 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -172.99 166.91 5.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.633 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.41 165.64 1.45 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.906 -1.121 . . . . 0.0 109.756 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -72.86 92.87 1.64 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.228 -0.92 . . . . 0.0 110.266 -178.586 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -102.38 -162.57 0.93 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.601 -0.687 . . . . 0.0 109.829 179.755 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.03 -30.68 68.02 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -60.29 -39.01 85.42 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.541 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.86 -39.72 86.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.19 -0.944 . . . . 0.0 109.225 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -60.11 -41.12 91.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.785 -1.197 . . . . 0.0 108.626 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -106.64 90.24 3.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.402 -0.811 . . . . 0.0 109.388 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -70.13 -25.92 63.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 0.0 109.544 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -60.72 -40.05 90.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.181 -0.95 . . . . 0.0 110.468 -179.409 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.25 95.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.98 -1.075 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.464 ' C ' ' SD ' ' A' ' 22' ' ' MET . 14.6 tmm? -63.54 -40.02 95.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.402 -0.811 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -42.27 96.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.116 -0.99 . . . . 0.0 109.33 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -67.65 -40.13 84.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.342 -0.849 . . . . 0.0 110.106 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -60.94 -39.93 91.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -98.4 0.04 44.59 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.382 -0.824 . . . . 0.0 109.142 179.72 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 54.81 47.31 22.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.627 -0.67 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -118.35 151.3 49.28 Favored Pre-proline 0 N--CA 1.504 2.246 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.171 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.6 Cg_endo -69.47 150.68 70.31 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.504 1.47 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.37 -21.35 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.098 1.865 . . . . 0.0 112.664 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.3 t -60.08 -49.88 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.935 -1.103 . . . . 0.0 111.211 -177.979 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.58 -40.71 82.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 108.853 -179.773 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.534 -0.729 . . . . 0.0 110.012 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.9 -37.72 83.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -41.36 91.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.765 -1.209 . . . . 0.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.22 -40.13 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.818 -1.176 . . . . 0.0 108.108 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.76 -40.01 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.45 0.643 . . . . 0.0 109.293 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.511 -0.743 . . . . 0.0 109.849 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -72.92 -40.0 65.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.919 . . . . 0.0 110.232 -179.154 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.83 112.82 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.057 -1.027 . . . . 0.0 109.179 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.31 -39.91 88.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.442 -0.786 . . . . 0.0 110.819 -179.167 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.76 -39.96 90.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 0.0 110.114 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.74 -27.91 55.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.091 -1.006 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.441 -0.787 . . . . 0.0 110.559 -177.917 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.374 0.607 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.55 -39.96 92.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.418 -0.801 . . . . 0.0 110.363 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -65.13 -40.38 94.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.098 -1.001 . . . . 0.0 110.797 -178.994 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.54 96.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 77.3 mt -68.7 -40.0 81.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.804 -0.821 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.92 -49.23 78.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.101 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.82 -39.95 91.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.003 -1.061 . . . . 0.0 108.405 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.4 63.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.608 -0.682 . . . . 0.0 110.339 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -60.89 138.53 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.955 -1.091 . . . . 0.0 109.675 -178.914 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -172.82 166.98 5.26 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.63 165.94 1.49 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.912 -1.118 . . . . 0.0 109.682 -179.134 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -73.01 92.6 1.67 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.208 -0.932 . . . . 0.0 110.329 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -102.06 -162.61 0.94 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.557 -0.714 . . . . 0.0 109.753 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.8 -31.0 68.66 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.844 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -60.02 -38.83 83.84 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.094 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.9 p -59.98 -41.09 91.25 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.962 -1.095 . . . . 0.0 108.626 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -106.71 90.01 3.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.372 -0.83 . . . . 0.0 109.465 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.06 -25.59 63.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.038 -1.039 . . . . 0.0 109.727 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -61.06 -40.05 92.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.016 -1.053 . . . . 0.0 110.271 -179.389 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.15 95.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.041 -1.037 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.473 ' C ' ' SD ' ' B' ' 22' ' ' MET . 14.6 tmm? -63.7 -40.01 95.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.82 . . . . 0.0 109.254 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.34 95.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.376 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.2 m -67.69 -39.92 84.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.277 -0.889 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.818 -179.162 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -98.3 -0.19 44.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.24 -0.913 . . . . 0.0 109.216 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 55.18 46.83 23.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.596 -0.69 . . . . 0.0 110.707 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -117.95 151.55 49.03 Favored Pre-proline 0 N--CA 1.502 2.148 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.67 150.82 69.27 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.541 1.494 . . . . 0.0 111.336 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -41.43 -21.45 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.148 1.899 . . . . 0.0 112.669 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.7 t -60.05 -50.06 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.915 -1.115 . . . . 0.0 111.27 -178.194 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.42 -40.89 82.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.824 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.17 96.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.528 -0.733 . . . . 0.0 110.05 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.8 -37.7 82.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 110.016 179.316 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.94 -41.33 91.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.834 -1.166 . . . . 0.0 109.429 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -40.07 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.817 -1.177 . . . . 0.0 108.049 179.274 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.73 -40.02 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.507 0.67 . . . . 0.0 109.359 179.297 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.75 94.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 109.852 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -73.05 -39.95 65.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.928 . . . . 0.0 110.266 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.88 112.58 13.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.005 -1.059 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.07 -40.14 88.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.826 -179.258 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.63 -40.06 90.56 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 m -76.41 -27.93 56.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.177 -0.952 . . . . 0.0 109.745 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.343 -0.848 . . . . 0.0 110.532 -177.733 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.351 0.596 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.11 -39.92 91.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.361 -0.837 . . . . 0.0 110.292 -179.526 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.16 -44.1 97.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.04 -179.143 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.01 94.99 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.9 mt -65.61 -39.93 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.486 -1.009 . . . . 0.0 109.476 179.604 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.98 -48.64 80.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.283 -0.885 . . . . 0.0 109.814 -179.209 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.9 -40.95 78.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 0.0 109.13 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.63 64.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -61.6 139.68 58.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.067 . . . . 0.0 109.34 -178.862 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.75 170.35 14.09 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.81 151.89 28.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.102 -0.999 . . . . 0.0 110.059 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -66.03 80.08 0.08 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.363 -0.836 . . . . 0.0 110.12 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -101.01 -156.63 0.56 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.463 -0.773 . . . . 0.0 109.09 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.09 -32.16 70.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.945 . . . . 0.0 109.608 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -59.97 -37.44 79.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.739 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -59.87 -40.13 87.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.974 -1.079 . . . . 0.0 109.554 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -60.01 -41.06 91.33 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.684 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -97.81 86.34 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 108.879 178.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -70.02 -26.52 64.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 -179.888 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.06 -40.0 92.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.136 -0.977 . . . . 0.0 109.472 -179.459 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.11 89.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -0.917 . . . . 0.0 109.363 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -61.16 -42.1 97.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.463 -0.773 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.66 99.81 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.524 -0.735 . . . . 0.0 110.178 -179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.05 -40.06 92.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.935 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -100.26 -0.38 38.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.282 -0.886 . . . . 0.0 109.902 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 56.12 42.41 28.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.392 -0.817 . . . . 0.0 110.076 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 mt -113.84 151.72 44.98 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.8 Cg_endo -70.01 149.47 65.37 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.208 1.272 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.76 -18.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.111 1.874 . . . . 0.0 112.74 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' PRO . 57.4 t -60.09 -49.94 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.896 -1.128 . . . . 0.0 110.969 -177.901 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.89 -43.25 86.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.853 -1.154 . . . . 0.0 109.63 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.36 96.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.116 -0.99 . . . . 0.0 109.234 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -60.42 -38.3 83.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.928 . . . . 0.0 109.774 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.94 -42.82 94.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.507 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.62 -40.15 85.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.087 -1.008 . . . . 0.0 108.81 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.88 -40.02 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.313 -0.867 . . . . 0.0 109.521 179.561 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.28 -38.95 91.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.455 -0.778 . . . . 0.0 109.51 -179.603 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.52 -40.01 64.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.725 -179.753 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -76.29 113.75 14.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.223 -0.923 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.09 -39.98 94.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.49 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.12 -40.43 89.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.0 110.723 -179.123 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -78.17 -30.63 49.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.912 -1.117 . . . . 0.0 109.738 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.059 -178.771 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.08 -40.07 92.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.257 -0.902 . . . . 0.0 110.358 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.94 -44.25 97.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.0 110.084 -179.211 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.07 -38.93 95.06 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 5' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 9' ' ' GLN . 62.0 mt -65.44 -40.06 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.496 -1.002 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.98 -48.53 81.33 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.789 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -69.0 -40.92 78.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.088 -1.007 . . . . 0.0 109.191 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.38 64.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.735 -0.603 . . . . 0.0 110.245 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 9' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.9 tt0 -61.59 139.79 58.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.051 . . . . 0.0 109.311 -179.004 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -166.1 170.2 13.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.6 152.25 26.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.993 -179.276 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -66.51 80.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.07 -156.58 0.56 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.496 -0.753 . . . . 0.0 109.09 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -70.02 -32.19 70.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.664 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -37.35 79.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.748 -179.389 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.966 -1.084 . . . . 0.0 109.54 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.6 p -60.0 -41.06 91.3 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.925 -1.109 . . . . 0.0 108.627 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -97.76 86.31 3.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.43 -0.794 . . . . 0.0 108.988 179.026 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.02 -26.57 64.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.213 -0.929 . . . . 0.0 109.529 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -61.11 -40.01 92.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 0.0 109.424 -179.39 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.15 89.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.975 . . . . 0.0 109.354 179.705 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.06 -42.37 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.482 -0.761 . . . . 0.0 109.683 -179.644 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.86 99.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.679 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.0 t -69.01 -40.01 78.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 0.0 110.187 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.07 -39.99 91.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 0.0 110.091 -179.382 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.39 -0.38 38.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.662 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 56.12 42.44 28.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.489 -0.757 . . . . 0.0 110.084 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.89 151.6 44.91 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.408 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.4 Cg_endo -69.95 149.26 65.42 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.286 1.324 . . . . 0.0 110.93 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.62 -19.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.161 1.907 . . . . 0.0 112.628 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.9 t -59.95 -50.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.876 -1.14 . . . . 0.0 111.106 -177.953 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.8 -43.28 86.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 120.903 -1.123 . . . . 0.0 109.569 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.59 97.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 109.211 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -60.19 -38.31 82.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.211 -0.931 . . . . 0.0 109.768 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.92 -42.94 95.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 109.545 -179.072 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.52 -39.96 84.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.146 -0.972 . . . . 0.0 108.938 179.887 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.06 -40.0 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.422 -0.799 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.24 -39.0 92.13 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.494 -0.754 . . . . 0.0 109.493 -179.547 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.6 m -73.49 -39.95 64.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.787 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.33 113.83 14.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.05 -40.03 94.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 110.498 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.16 -40.26 89.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 110.739 -179.055 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.38 -30.59 47.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.998 -1.064 . . . . 0.0 109.676 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 110.028 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.344 0.592 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.91 -40.9 94.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.383 -0.823 . . . . 0.0 110.814 -178.851 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.98 -45.68 93.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.269 -179.099 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.8 96.37 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.08 -39.9 87.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.618 -0.931 . . . . 0.0 110.175 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.26 -43.57 96.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.718 -1.239 . . . . 0.0 109.995 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.62 -40.42 76.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.0 -1.062 . . . . 0.0 108.628 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.02 68.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.532 -0.73 . . . . 0.0 110.084 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.07 139.93 57.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.894 -1.129 . . . . 0.0 109.099 -178.979 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -169.07 159.88 9.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 109.17 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.48 162.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.502 -0.749 . . . . 0.0 110.207 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' ND1' ' SG ' ' A' ' 43' ' ' CYS . 75.6 t60 -71.07 70.86 0.54 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -82.25 -174.17 4.97 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.566 -0.709 . . . . 0.0 109.718 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -68.46 -24.93 64.76 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.06 -33.77 72.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 109.66 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -59.96 -40.81 90.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.876 -1.14 . . . . 0.0 109.229 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -60.91 -46.95 88.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 108.186 179.31 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.29 79.32 4.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.566 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -69.97 -23.34 63.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 -179.56 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.95 -40.19 92.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 0.0 110.322 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.16 96.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.893 -1.13 . . . . 0.0 109.403 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.0 ttp -62.99 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.719 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.42 -46.43 88.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 109.367 179.672 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 110.087 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.44 -0.788 . . . . 0.0 109.82 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.46 1.3 43.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.891 . . . . 0.0 109.707 -179.83 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 54.37 47.69 22.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.415 -0.803 . . . . 0.0 110.465 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -119.67 150.75 50.86 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.222 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 50.3 Cg_endo -69.77 152.15 69.16 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.588 1.525 . . . . 0.0 111.073 179.617 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -42.55 -17.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.101 1.867 . . . . 0.0 112.472 -179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' PRO . 98.0 t -60.02 -54.66 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.978 -1.076 . . . . 0.0 111.179 -178.312 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.88 -40.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.1 -1.0 . . . . 0.0 108.983 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.89 86.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.98 -39.81 95.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.929 -1.107 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.55 -40.27 90.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.843 -1.161 . . . . 0.0 109.7 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.1 -39.93 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.058 -1.026 . . . . 0.0 108.401 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.15 -40.17 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.09 69.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 109.947 -179.313 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -73.07 -33.91 65.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.123 -0.986 . . . . 0.0 109.483 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.64 112.04 11.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.0 109.403 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -40.09 89.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.494 -0.754 . . . . 0.0 110.379 -179.815 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.25 -41.21 92.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' SG ' ' ND1' ' A' ' 12' ' ' HIS . 52.9 m -77.92 -29.96 50.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.773 -179.805 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.471 -0.768 . . . . 0.0 111.47 -177.625 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.327 0.584 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.16 -40.39 93.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.53 -45.5 93.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 110.125 -179.132 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.76 -38.43 95.92 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.04 -39.96 87.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.583 -0.951 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.99 -43.57 95.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.774 -1.204 . . . . 0.0 110.101 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.76 -40.37 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.89 -1.131 . . . . 0.0 108.651 179.401 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.72 67.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 110.3 179.421 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.16 139.41 58.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.1 -1.0 . . . . 0.0 109.223 -178.934 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -168.52 159.99 10.65 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.296 -0.877 . . . . 0.0 109.31 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.8 162.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.326 -0.858 . . . . 0.0 110.1 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.484 ' ND1' ' SG ' ' B' ' 43' ' ' CYS . 75.2 t60 -71.0 70.99 0.53 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.361 -0.837 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.28 -174.49 5.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.588 -0.695 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.73 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -59.98 -33.61 72.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.713 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -40.42 89.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.872 -1.143 . . . . 0.0 109.311 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -61.28 -46.76 88.99 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.126 . . . . 0.0 108.209 179.199 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.39 78.96 4.41 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.612 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -69.86 -23.09 63.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.909 . . . . 0.0 109.755 -179.566 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -61.15 -40.06 92.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.0 110.291 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.917 -1.115 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.7 ttp -63.02 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.423 -0.798 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.38 -46.26 89.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 109.282 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.04 -39.82 93.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.844 . . . . 0.0 110.171 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -61.79 -39.98 93.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.942 -179.582 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -99.53 0.69 42.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.222 -0.924 . . . . 0.0 109.673 -179.705 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.4 m-20 55.17 47.26 22.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.327 -0.858 . . . . 0.0 110.395 179.487 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -119.57 150.76 50.64 Favored Pre-proline 0 N--CA 1.502 2.149 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.2 Cg_endo -69.93 152.44 68.43 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.551 1.501 . . . . 0.0 111.256 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.8 -17.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.974 1.783 . . . . 0.0 112.456 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.4 t -60.05 -54.4 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.09 -1.006 . . . . 0.0 111.189 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.15 -40.98 83.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.295 -0.878 . . . . 0.0 108.949 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.98 85.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.511 -0.743 . . . . 0.0 109.939 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.74 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.965 -1.084 . . . . 0.0 110.234 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.37 -40.47 90.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.95 -1.094 . . . . 0.0 109.785 -179.499 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.62 -40.34 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.881 -1.137 . . . . 0.0 108.093 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.32 -39.9 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.651 -0.655 . . . . 0.0 109.277 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.68 68.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.411 -0.806 . . . . 0.0 110.099 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -73.34 -33.72 65.27 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.56 112.1 11.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 109.244 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.76 -39.91 90.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.394 -0.816 . . . . 0.0 110.41 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.04 -41.36 92.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 110.189 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 43' ' ' CYS . . . . . 0.484 ' SG ' ' ND1' ' B' ' 12' ' ' HIS . 46.6 m -77.94 -30.03 50.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.008 -1.058 . . . . 0.0 109.726 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 111.457 -177.475 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.522 0.677 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.08 -40.11 92.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.524 -179.384 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 8.9 p-10 -61.49 -49.79 75.33 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -179.069 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.61 -38.14 86.26 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.652 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -1.027 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -69.45 -40.0 77.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 108.675 179.275 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -27.42 63.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 110.092 179.615 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.63 126.18 26.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 0.0 109.73 -178.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -148.1 -164.12 1.94 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.45 -0.781 . . . . 0.0 109.15 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 43.1 mp0 -75.07 158.42 33.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.734 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.37 77.06 2.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.548 -179.677 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.86 -156.44 0.56 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.384 -0.823 . . . . 0.0 109.581 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.32 -30.42 68.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -60.0 -38.9 83.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.372 -0.83 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.99 -39.99 87.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.973 -1.08 . . . . 0.0 108.431 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -67.67 -39.99 84.48 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.955 -1.091 . . . . 0.0 108.536 179.199 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -94.05 80.71 4.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 109.11 179.382 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -70.06 -27.57 64.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -60.1 -40.04 88.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 -179.07 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.49 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.574 ' CE ' HD12 ' A' ' 36' ' ' ILE . 59.6 ttp -64.12 -40.88 97.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.255 -0.903 . . . . 0.0 109.452 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.63 -40.52 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.042 -1.036 . . . . 0.0 108.949 179.882 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -68.8 -39.9 79.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.499 -0.751 . . . . 0.0 110.287 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -61.56 -39.95 92.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.763 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.92 -1.38 40.14 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.409 -0.807 . . . . 0.0 109.519 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 84.7 m-20 53.95 45.92 26.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.74 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.98 151.2 44.61 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.7 Cg_endo -71.61 149.35 55.12 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.593 1.529 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -40.95 -20.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.161 1.908 . . . . 0.0 112.56 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 59.8 t -59.87 -50.82 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.805 -1.184 . . . . 0.0 110.516 -177.824 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.61 -42.42 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.842 -1.161 . . . . 0.0 109.271 179.485 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.98 95.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.297 -0.877 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -62.0 -40.11 94.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.028 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 12.6 tm-20 -59.87 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.064 -1.022 . . . . 0.0 110.344 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD12 ' CE ' ' A' ' 22' ' ' MET . 15.8 mt -61.14 -40.02 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.744 -1.223 . . . . 0.0 108.173 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.1 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 108.765 179.072 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -67.7 -38.61 83.89 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.653 -0.655 . . . . 0.0 109.688 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.5 m -71.67 -40.12 69.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.315 -0.866 . . . . 0.0 109.853 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -76.32 115.07 15.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.09 -1.006 . . . . 0.0 109.229 179.773 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.17 -40.05 88.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 0.0 110.176 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -59.93 -42.27 93.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 109.855 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.04 -22.64 42.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.173 -178.345 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.499 0.666 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.33 -39.96 92.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.581 -0.699 . . . . 0.0 110.531 -179.435 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 9.1 p-10 -61.34 -50.0 74.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.944 . . . . 0.0 110.436 -179.173 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.05 85.85 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.66 -40.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.397 -1.061 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -59.93 -41.56 92.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.887 -1.133 . . . . 0.0 110.032 -178.718 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.29 -40.18 77.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.973 -1.079 . . . . 0.0 108.598 179.281 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.59 64.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.641 -0.662 . . . . 0.0 110.046 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.53 126.19 26.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.012 . . . . 0.0 109.734 -178.876 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -148.11 -163.89 1.88 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 42.9 mp0 -75.21 158.52 32.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 109.727 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -75.39 77.14 2.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 109.594 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.97 -156.72 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.475 -0.766 . . . . 0.0 109.515 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.16 -30.47 68.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.206 -0.934 . . . . 0.0 109.203 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -59.91 -38.98 83.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.148 -179.698 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.94 -40.0 87.48 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.181 -1.008 . . . . 0.0 108.5 179.593 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.6 p -67.55 -39.97 84.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.912 -1.118 . . . . 0.0 108.621 179.097 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.14 80.6 4.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.843 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -69.98 -27.53 64.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 109.688 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -60.04 -40.14 88.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.909 . . . . 0.0 109.678 -179.089 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.57 98.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.571 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' MET . . . . . 0.579 ' CE ' HD12 ' B' ' 36' ' ' ILE . 59.5 ttp -64.19 -41.12 97.22 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.243 -0.91 . . . . 0.0 109.461 -179.905 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.39 -40.58 96.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.149 -0.969 . . . . 0.0 109.021 179.852 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -68.6 -40.09 80.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.508 -0.745 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 109.747 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -99.03 -1.22 40.25 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.406 -0.809 . . . . 0.0 109.441 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.4 m-20 53.72 45.9 27.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.0 109.791 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.96 151.16 44.56 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 29' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 31' ' ' VAL . 59.6 Cg_endo -71.43 149.3 56.16 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.613 1.542 . . . . 0.0 111.363 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.96 -20.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.118 1.879 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' PRO . 62.2 t -59.87 -51.02 77.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.772 -1.205 . . . . 0.0 110.675 -177.776 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 -42.46 80.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.817 -1.177 . . . . 0.0 109.207 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.94 95.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.353 -0.842 . . . . 0.0 109.961 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -61.98 -39.96 93.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.095 -1.003 . . . . 0.0 110.087 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 35' ' ' GLU . . . . . 0.428 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 12.4 tm-20 -60.1 -39.92 87.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.079 -1.013 . . . . 0.0 110.376 -178.841 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' B' ' 22' ' ' MET . 16.2 mt -61.3 -39.89 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.771 -1.205 . . . . 0.0 108.169 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.02 -40.07 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.177 -0.952 . . . . 0.0 108.795 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -67.54 -38.82 84.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.677 -0.64 . . . . 0.0 109.726 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 39' ' ' SER . . . . . 0.428 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 61.0 m -71.51 -40.04 70.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.254 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.45 114.86 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.125 -0.985 . . . . 0.0 109.157 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -60.1 -40.01 88.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.452 -0.78 . . . . 0.0 110.155 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.08 -42.22 94.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.083 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.12 -22.44 42.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.858 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.183 -0.948 . . . . 0.0 110.259 -178.45 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.392 0.615 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.7 -41.31 94.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.547 -0.72 . . . . 0.0 111.009 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.11 -41.11 99.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.969 -1.082 . . . . 0.0 110.062 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.47 96.08 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.34 -39.94 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.517 -0.99 . . . . 0.0 110.288 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.06 -46.67 88.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.996 -1.065 . . . . 0.0 109.784 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -69.58 -40.08 76.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.874 -1.141 . . . . 0.0 109.132 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.42 132.74 53.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.208 -0.933 . . . . 0.0 110.196 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 4.0 tp10 -158.31 -149.61 0.23 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 79.8 mt-10 -80.95 155.1 26.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.053 -1.03 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.32 78.72 1.0 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.423 -0.798 . . . . 0.0 109.158 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -100.38 -155.98 0.53 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.369 -0.832 . . . . 0.0 109.911 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -69.77 -30.9 68.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.417 -0.802 . . . . 0.0 109.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -59.94 -39.99 87.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.461 -0.774 . . . . 0.0 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.39 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -60.41 -49.03 79.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.946 -1.097 . . . . 0.0 108.866 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -95.37 91.56 6.29 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.341 -0.849 . . . . 0.0 108.868 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.02 -27.28 64.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 110.009 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -39.98 88.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.153 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.83 94.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.083 -1.011 . . . . 0.0 109.561 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.89 -42.35 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.022 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.74 95.32 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.14 -0.975 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -70.06 -39.98 75.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 109.749 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.75 -39.98 90.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 109.976 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -99.22 0.56 43.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.313 -0.867 . . . . 0.0 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 53.27 44.74 29.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.793 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.2 mt -113.37 150.91 43.88 Favored Pre-proline 0 N--CA 1.499 2.017 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.9 Cg_endo -67.95 145.35 67.68 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 121.287 1.324 . . . . 0.0 110.805 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.23 -18.1 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.313 2.009 . . . . 0.0 113.087 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.2 t -59.98 -50.05 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.95 -1.094 . . . . 0.0 110.693 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.71 -41.98 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.8 -1.188 . . . . 0.0 109.58 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 110.279 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.9 -39.46 89.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -0.983 . . . . 0.0 110.162 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.59 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.849 -1.157 . . . . 0.0 108.809 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.84 -40.03 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.43 -0.794 . . . . 0.0 108.904 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.75 89.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.586 -0.696 . . . . 0.0 109.671 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -72.7 -39.96 66.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 110.278 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 t -75.85 112.62 12.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.988 -1.07 . . . . 0.0 108.754 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 110.365 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.88 -39.99 91.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.086 -1.009 . . . . 0.0 109.997 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -77.71 -27.72 50.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.87 -1.143 . . . . 0.0 110.089 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -76.21 -74.53 0.22 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.147 -0.97 . . . . 0.0 110.56 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.54 135.45 47.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.392 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.0 -79.91 0.33 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 108.667 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.37 -169.9 46.15 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.74 149.9 32.58 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -1.171 . . . . 0.0 109.514 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -69.66 -92.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.627 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -79.01 155.25 28.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.476 -0.765 . . . . 0.0 109.69 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -76.29 -1.9 28.89 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.256 -0.902 . . . . 0.0 108.679 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.3 -106.67 2.72 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -145.88 159.41 43.25 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.369 -1.077 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.31 122.94 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.234 -0.916 . . . . 0.0 109.304 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.313 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.445 0.64 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.48 -41.7 94.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 110.959 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.89 -40.94 99.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -38.47 96.17 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.25 -40.0 85.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.519 -0.989 . . . . 0.0 110.269 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.98 -46.87 88.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.943 -1.098 . . . . 0.0 109.816 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.49 -40.04 77.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.138 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.06 80.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.516 -0.74 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.63 133.18 54.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 4.0 tp10 -158.68 -149.55 0.22 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.415 -0.803 . . . . 0.0 109.12 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 80.0 mt-10 -80.84 155.17 26.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.073 -1.017 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.57 78.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 0.0 109.072 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -100.3 -155.84 0.53 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.419 -0.8 . . . . 0.0 109.858 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -69.91 -30.8 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.08 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.389 -0.819 . . . . 0.0 109.005 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.07 -40.93 91.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.16 -0.963 . . . . 0.0 109.43 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -60.17 -49.1 78.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.859 -1.15 . . . . 0.0 108.911 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -95.25 91.43 6.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.164 -0.96 . . . . 0.0 109.001 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -70.01 -27.22 64.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.957 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.198 -0.939 . . . . 0.0 110.048 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.81 94.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 109.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.4 ttp -60.91 -42.24 97.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.64 95.37 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -70.0 -40.03 75.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 109.752 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.71 -40.0 90.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.926 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -99.21 0.5 43.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 109.505 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 53.31 44.74 29.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.406 -0.809 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -113.4 150.89 43.86 Favored Pre-proline 0 N--CA 1.501 2.103 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 31' ' ' VAL . 40.1 Cg_endo -67.84 145.33 68.27 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.309 1.339 . . . . 0.0 110.809 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -40.22 -18.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.343 2.029 . . . . 0.0 113.112 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.2 t -59.94 -49.93 82.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.958 -1.089 . . . . 0.0 110.711 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.8 -42.0 85.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.799 -1.188 . . . . 0.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.45 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.193 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -61.11 -39.28 89.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.144 -0.972 . . . . 0.0 110.239 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.967 -1.083 . . . . 0.0 109.609 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -39.98 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.872 -1.142 . . . . 0.0 108.87 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.85 -39.98 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.842 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.92 89.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.556 -0.715 . . . . 0.0 109.634 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.4 m -72.62 -40.01 66.81 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.893 . . . . 0.0 110.309 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.74 112.56 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.964 -1.085 . . . . 0.0 108.667 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.97 -39.98 91.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.103 -0.998 . . . . 0.0 109.949 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 m -77.75 -27.57 50.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.957 -1.089 . . . . 0.0 110.149 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -76.17 -74.43 0.23 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.058 . . . . 0.0 110.646 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.61 135.49 46.98 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.39 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.0 -79.83 0.33 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.33 -169.87 46.09 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.85 149.92 32.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.551 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -69.79 -93.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.221 -0.924 . . . . 0.0 109.586 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -78.9 155.33 29.11 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.462 -0.774 . . . . 0.0 109.75 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -76.5 -1.75 28.8 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.318 -0.864 . . . . 0.0 108.696 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.08 -106.66 2.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -145.95 159.4 43.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -1.059 . . . . 0.0 108.954 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.28 123.03 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.255 -0.903 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.231 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.484 0.659 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.27 -39.99 88.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.491 -0.756 . . . . 0.0 110.144 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.08 -49.98 75.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.171 -0.956 . . . . 0.0 110.412 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.99 96.64 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.4 mt -64.77 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.99 . . . . 0.0 110.247 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.0 -47.87 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.038 -1.039 . . . . 0.0 109.56 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.37 -40.06 81.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.164 -0.96 . . . . 0.0 108.998 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.82 70.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.566 -0.709 . . . . 0.0 109.872 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.5 tt0 -61.19 127.16 30.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.388 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -149.29 -164.44 2.03 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.419 -0.801 . . . . 0.0 109.173 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -79.88 156.21 27.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.424 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 67.0 t60 -69.61 72.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.2 -0.937 . . . . 0.0 109.467 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.08 -151.19 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.9 -30.99 68.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.215 -0.928 . . . . 0.0 109.922 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -59.98 -39.98 87.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.08 -1.012 . . . . 0.0 109.786 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.43 -39.99 89.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.01 -1.056 . . . . 0.0 109.56 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -61.19 -45.29 95.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.093 . . . . 0.0 109.227 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -96.32 89.9 5.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.279 -0.888 . . . . 0.0 109.346 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -70.02 -27.18 64.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.16 -0.962 . . . . 0.0 109.247 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.57 -39.92 89.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.73 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.002 -1.061 . . . . 0.0 108.83 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -62.71 -43.12 99.64 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.505 -0.747 . . . . 0.0 109.532 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.03 -44.24 96.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.119 -0.988 . . . . 0.0 109.816 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.7 m -68.33 -40.05 81.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.32 -41.82 94.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 110.334 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -102.33 -0.01 33.45 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.44 -0.788 . . . . 0.0 110.031 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.7 m-20 55.82 43.15 28.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.498 -0.751 . . . . 0.0 110.786 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.41 150.93 43.35 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -68.38 149.38 75.09 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 121.555 1.503 . . . . 0.0 111.288 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.73 -18.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.114 1.876 . . . . 0.0 112.4 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.5 t -59.98 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.046 -1.034 . . . . 0.0 110.793 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.72 -43.45 82.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.789 -1.194 . . . . 0.0 109.249 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.76 93.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.256 -0.903 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.52 -40.05 96.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 35' ' ' GLU . 2.7 tm-20 -60.82 -40.03 91.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.859 -1.15 . . . . 0.0 109.572 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.8 mt -61.8 -40.0 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.984 -1.073 . . . . 0.0 108.664 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.89 -39.99 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.62 78.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.648 . . . . 0.0 109.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.75 -37.58 65.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.011 . . . . 0.0 110.271 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -74.84 114.73 13.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.837 -1.164 . . . . 0.0 109.371 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.14 -39.95 88.11 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.239 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -61.32 -44.45 97.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.061 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 12.0 m -79.98 -32.52 39.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.017 -1.052 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -68.38 -53.97 20.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.459 -0.775 . . . . 0.0 112.058 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -80.01 100.81 8.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.648 -1.283 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -99.22 -10.81 21.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.631 -0.668 . . . . 0.0 109.351 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.74 159.04 43.68 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.15 -4.51 56.08 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.402 -1.058 . . . . 0.0 110.052 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.11 93.51 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.125 -0.984 . . . . 0.0 109.25 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.481 ' C ' ' CG ' ' A' ' 51' ' ' HIS . 71.0 mtm -115.61 -164.77 0.98 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.552 -0.717 . . . . 0.0 109.762 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.611 ' O ' ' N ' ' B' ' 51' ' ' HIS . 6.6 m80 83.53 110.81 0.06 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.145 0.498 . . . . 0.0 111.119 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.01 -27.25 0.23 Allowed Glycine 0 N--CA 1.499 2.888 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.83 -167.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -1.127 . . . . 0.0 109.167 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.77 119.96 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.333 -0.854 . . . . 0.0 109.445 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.602 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.507 0.67 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.15 -40.07 88.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.377 -0.827 . . . . 0.0 110.139 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.03 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.113 -0.992 . . . . 0.0 110.406 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -40.03 96.7 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -1.028 . . . . 0.0 110.241 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.08 -47.88 84.06 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 109.516 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.27 -39.97 82.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.152 -0.968 . . . . 0.0 108.974 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -32.79 70.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.535 -0.728 . . . . 0.0 109.868 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.18 127.24 30.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.266 -0.896 . . . . 0.0 109.361 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -149.44 -164.35 2.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.425 -0.797 . . . . 0.0 109.158 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -79.97 156.29 27.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.377 -0.827 . . . . 0.0 109.64 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 66.7 t60 -69.63 71.99 0.34 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.077 -1.014 . . . . 0.0 109.515 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -100.92 -151.12 0.4 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.488 -0.757 . . . . 0.0 109.53 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.05 -30.74 68.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 109.927 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.941 -1.099 . . . . 0.0 109.571 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -61.08 -45.53 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.968 -1.083 . . . . 0.0 109.201 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -96.34 90.39 5.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.202 -0.936 . . . . 0.0 109.293 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -69.97 -27.37 64.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.187 -0.945 . . . . 0.0 109.275 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 110.079 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.075 -1.015 . . . . 0.0 108.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.444 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.9 ttm -62.6 -43.1 99.67 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.88 -44.34 96.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.858 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -68.29 -40.06 81.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.937 . . . . 0.0 110.082 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.4 -41.88 94.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.337 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -102.38 0.06 33.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.325 -0.86 . . . . 0.0 110.044 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 23' ' ' ALA . 95.7 m-20 55.8 42.9 28.56 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.809 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.97 150.87 43.02 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.3 Cg_endo -68.54 149.51 74.34 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.432 1.421 . . . . 0.0 111.413 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -40.69 -18.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.242 1.961 . . . . 0.0 112.42 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.8 t -60.11 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.031 -1.043 . . . . 0.0 110.688 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.76 -43.65 82.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.352 -0.842 . . . . 0.0 109.817 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.45 -40.02 96.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 110.032 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' B' ' 35' ' ' GLU . 2.7 tm-20 -60.87 -39.95 91.16 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.959 -1.088 . . . . 0.0 109.603 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.444 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.2 mt -61.98 -39.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.061 -1.025 . . . . 0.0 108.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.88 -39.99 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.56 78.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.581 -0.7 . . . . 0.0 109.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -73.77 -37.59 64.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.103 -0.998 . . . . 0.0 110.255 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.94 114.73 13.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.88 -1.137 . . . . 0.0 109.313 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.21 -40.08 88.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.09 -44.44 97.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -0.96 . . . . 0.0 110.123 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 11.5 m -79.93 -32.42 40.08 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.029 -1.045 . . . . 0.0 110.449 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.5 -54.09 19.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.382 -0.824 . . . . 0.0 112.059 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.94 100.93 8.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.692 -1.255 . . . . 0.0 110.334 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -99.32 -10.85 21.81 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.596 -0.69 . . . . 0.0 109.396 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.87 159.31 43.71 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -91.17 -4.34 56.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.432 -1.04 . . . . 0.0 110.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.94 93.4 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.087 -1.008 . . . . 0.0 109.249 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' B' ' 51' ' ' HIS . 71.0 mtm -115.21 -164.2 0.93 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.521 -0.737 . . . . 0.0 109.836 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 51' ' ' HIS . 6.1 m80 82.67 111.38 0.06 Allowed 'General case' 0 N--CA 1.504 2.23 0 CA-C-O 121.247 0.546 . . . . 0.0 111.181 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.61 -27.65 0.21 Allowed Glycine 0 N--CA 1.497 2.732 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 52.77 -167.86 0.05 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -1.147 . . . . 0.0 109.306 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.45 120.03 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.281 -0.887 . . . . 0.0 109.404 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.614 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.461 0.648 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.24 -40.05 94.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 110.492 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 -41.88 95.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.011 -1.055 . . . . 0.0 110.423 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.59 96.59 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.78 -40.19 85.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.607 -0.937 . . . . 0.0 110.332 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.95 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.764 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -68.55 -41.18 80.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.309 -0.957 . . . . 0.0 109.204 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.73 74.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.356 -0.84 . . . . 0.0 109.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.16 137.5 58.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.015 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.03 -174.96 3.5 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' GLU . 33.9 tt0 -62.6 149.95 41.92 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.179 -0.95 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 69.0 t60 -64.14 75.67 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.392 -0.818 . . . . 0.0 109.849 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 91.9 mt-10 -90.03 -162.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.477 -0.764 . . . . 0.0 109.847 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.53 -30.04 67.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.837 . . . . 0.0 109.958 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -59.88 -32.43 70.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.247 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.02 -40.29 88.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.77 -1.206 . . . . 0.0 109.348 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -60.4 -40.58 91.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.949 -1.094 . . . . 0.0 108.551 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.87 82.81 2.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.673 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -70.12 -26.8 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.186 -0.946 . . . . 0.0 109.486 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 20' ' ' ARG . 31.1 mtm-85 -61.42 -40.91 96.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.053 -1.029 . . . . 0.0 109.802 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.875 . . . . 0.0 109.434 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.87 -40.92 97.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.209 -0.932 . . . . 0.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.03 98.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.005 -1.06 . . . . 0.0 109.6 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.63 -40.18 76.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.424 -0.798 . . . . 0.0 110.319 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.12 -40.04 92.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.129 -0.982 . . . . 0.0 110.092 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -99.14 0.3 43.18 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.379 -0.825 . . . . 0.0 109.537 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.42 42.93 31.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.5 -0.75 . . . . 0.0 110.481 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -112.15 150.52 42.58 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.9 Cg_endo -68.7 147.23 69.18 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.602 1.535 . . . . 0.0 111.303 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.07 -18.77 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.401 2.067 . . . . 0.0 112.478 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -59.87 -50.18 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.02 . . . . 0.0 110.322 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -40.21 79.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.69 97.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.79 -39.03 87.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.262 -0.899 . . . . 0.0 109.531 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -59.9 -42.15 93.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 0.0 109.795 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.59 -40.75 87.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 120.9 -1.125 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.81 -39.94 84.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.209 -0.932 . . . . 0.0 108.944 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.99 -39.78 90.61 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.474 -0.766 . . . . 0.0 109.911 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -72.24 -37.53 69.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.184 -0.948 . . . . 0.0 109.994 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.6 t -75.14 107.65 7.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.956 -1.09 . . . . 0.0 109.26 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.01 -39.96 87.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.373 -0.829 . . . . 0.0 110.395 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.16 -0.962 . . . . 0.0 109.651 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.5 m -73.21 -35.4 66.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.081 . . . . 0.0 109.212 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -79.49 -70.76 0.49 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.506 -0.746 . . . . 0.0 110.592 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.33 136.15 42.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.815 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -86.27 -8.97 57.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.285 -0.884 . . . . 0.0 110.261 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 161.84 0.4 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 60.61 34.06 20.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -1.15 . . . . 0.0 109.747 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -92.07 -15.05 28.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.148 -0.97 . . . . 0.0 110.46 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' B' ' 50' ' ' MET . 59.5 ttm -70.09 -95.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 110.959 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -75.24 159.24 31.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.082 -1.011 . . . . 0.0 110.776 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.35 -127.54 0.89 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -97.96 119.39 36.5 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.074 -1.251 . . . . 0.0 108.932 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.26 126.43 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.519 -0.738 . . . . 0.0 109.599 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.554 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.421 0.629 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.53 -40.23 93.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.69 -41.19 96.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.03 -1.044 . . . . 0.0 110.669 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.57 -37.64 94.68 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.27 -39.59 83.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.711 -0.876 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.66 -46.58 89.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -68.37 -41.26 80.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.142 -0.974 . . . . 0.0 109.204 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.51 74.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.527 -0.733 . . . . 0.0 109.943 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.3 137.78 58.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.04 -174.76 3.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 13' ' ' GLU . 33.9 tt0 -63.12 149.8 44.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.202 -0.936 . . . . 0.0 109.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -63.71 76.49 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.466 -0.771 . . . . 0.0 109.711 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 11' ' ' GLU . 91.8 mt-10 -91.19 -162.29 0.9 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.386 -0.821 . . . . 0.0 109.81 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.62 -29.8 67.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.544 -0.722 . . . . 0.0 110.025 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -60.07 -32.88 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.078 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.98 -40.23 88.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.74 -1.225 . . . . 0.0 109.37 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -60.58 -40.24 91.0 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.919 -1.113 . . . . 0.0 108.8 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.08 82.7 2.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.472 -0.768 . . . . 0.0 109.393 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.02 -27.37 64.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -61.06 -40.77 94.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.634 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttp -64.32 -41.12 96.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 0.0 109.681 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.92 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.029 -1.045 . . . . 0.0 109.49 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.8 t -69.97 -40.1 75.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.488 -0.758 . . . . 0.0 110.314 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.97 -40.06 91.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -99.23 0.41 43.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.271 -0.893 . . . . 0.0 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.37 43.16 30.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.473 -0.767 . . . . 0.0 110.478 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -111.86 150.92 43.05 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.8 Cg_endo -68.66 147.31 69.59 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.565 1.51 . . . . 0.0 111.3 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -40.27 -18.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.3 2.0 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.6 t -59.85 -50.2 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.07 -1.019 . . . . 0.0 110.51 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.23 -40.27 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.086 -1.008 . . . . 0.0 108.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.42 96.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.682 -0.636 . . . . 0.0 109.652 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -60.99 -38.68 86.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.0 109.32 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.0 -42.12 93.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.81 -40.61 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 120.848 -1.158 . . . . 0.0 109.074 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.03 -40.24 85.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -65.9 -39.56 90.73 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.493 -0.755 . . . . 0.0 109.836 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -71.96 -38.85 69.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.34 -0.85 . . . . 0.0 110.06 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 t -74.46 108.15 7.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.906 -1.121 . . . . 0.0 109.24 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.61 -39.61 88.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.506 -0.746 . . . . 0.0 110.483 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.09 -39.77 87.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.049 -1.032 . . . . 0.0 109.593 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -73.71 -34.44 64.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.911 -1.118 . . . . 0.0 108.848 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -79.94 -70.73 0.5 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.651 -0.656 . . . . 0.0 110.581 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.54 136.35 42.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.939 -1.101 . . . . 0.0 109.725 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -85.96 -9.4 56.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.213 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 161.26 0.41 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 61.08 33.94 19.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.383 -1.069 . . . . 0.0 109.626 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.87 -14.8 29.09 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.144 -0.973 . . . . 0.0 110.647 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' MET . 59.9 ttm -70.21 -95.97 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.09 -1.006 . . . . 0.0 110.89 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -74.97 159.38 31.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.034 . . . . 0.0 110.79 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.24 -127.33 0.87 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -98.24 119.77 37.48 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.312 -1.11 . . . . 0.0 108.825 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -104.67 126.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.419 -0.801 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.522 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.384 0.612 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.47 -40.27 90.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.441 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -61.91 -50.07 73.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.074 -1.016 . . . . 0.0 109.439 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.86 -36.88 89.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.65 -40.11 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -1.148 . . . . 0.0 109.735 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.18 -48.33 82.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.027 . . . . 0.0 109.667 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.9 -39.96 75.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.888 -1.132 . . . . 0.0 109.175 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -34.17 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.449 -0.782 . . . . 0.0 109.797 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.15 133.52 55.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.52 -164.63 2.07 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.252 -0.905 . . . . 0.0 110.091 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.15 154.34 39.14 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.334 -0.854 . . . . 0.0 109.493 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -73.32 67.83 1.02 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.314 -0.866 . . . . 0.0 109.227 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 18.8 tt0 -101.52 -149.52 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.658 -0.651 . . . . 0.0 109.682 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 66.7 mmtt -70.05 -32.41 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.777 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -60.42 -40.07 89.7 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.524 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -64.64 -45.1 88.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.121 -0.987 . . . . 0.0 108.901 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -91.95 81.09 5.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.176 -0.953 . . . . 0.0 108.818 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -70.03 -26.71 64.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.451 -0.78 . . . . 0.0 110.034 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -60.64 -40.32 91.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.12 88.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -60.55 -43.79 96.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.28 -0.887 . . . . 0.0 109.722 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.56 -44.88 95.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.669 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -67.27 -40.26 86.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 0.0 110.591 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.0 -40.49 97.92 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.232 -0.917 . . . . 0.0 109.933 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.27 4.37 44.14 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 52.61 46.49 26.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.0 110.433 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 mt -118.21 150.99 48.64 Favored Pre-proline 0 N--CA 1.506 2.332 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.4 Cg_endo -71.48 151.47 59.2 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.215 1.277 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.85 -18.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.076 1.851 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 76.0 t -60.01 -51.07 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 111.066 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.2 -42.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.874 -1.141 . . . . 0.0 109.534 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.42 99.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.083 -1.011 . . . . 0.0 109.716 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.11 -40.1 92.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.249 -0.907 . . . . 0.0 110.301 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -60.07 -39.83 87.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.847 -1.158 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' A' ' 22' ' ' MET . 12.1 mt -64.64 -40.19 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 108.252 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.64 -40.12 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.432 -0.793 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.23 76.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.775 . . . . 0.0 109.567 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.1 m -72.38 -38.83 68.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.633 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.65 112.32 9.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -60.3 -40.18 89.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.52 -0.737 . . . . 0.0 110.114 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.83 -45.09 93.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.74 -34.67 52.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.941 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.47 -70.0 0.52 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.432 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.85 139.64 53.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.148 -0.97 . . . . 0.0 109.593 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -85.74 146.78 26.64 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.87 157.51 48.88 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 119.771 -1.204 . . . . 0.0 110.207 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' ALA . 79.0 mm-40 55.28 62.35 2.51 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.506 -0.996 . . . . 0.0 110.202 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . -49.63 173.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.122 -0.986 . . . . 0.0 109.07 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.458 ' O ' ' O ' ' B' ' 50' ' ' MET . 62.9 mtt -53.14 136.83 35.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -122.82 -8.54 8.39 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.53 -0.731 . . . . 0.0 109.179 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.0 172.14 25.87 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -102.01 134.62 44.94 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.337 -1.096 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 54' ' ' VAL . 14.1 p -133.19 134.22 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.381 -0.824 . . . . 0.0 109.02 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 23.9 p-10 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.818 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.412 0.625 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.45 -40.36 90.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 0.0 110.352 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 0.6 OUTLIER -61.73 -50.36 72.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.892 -1.13 . . . . 0.0 109.409 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.11 -36.91 84.11 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.88 -39.9 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -1.11 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -60.52 -47.72 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.098 -1.001 . . . . 0.0 109.981 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.86 -40.09 75.98 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.89 73.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.507 -0.745 . . . . 0.0 110.075 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.78 132.09 51.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 109.151 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -147.73 -165.0 2.14 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.157 -0.964 . . . . 0.0 110.124 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.84 155.44 38.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.544 -0.722 . . . . 0.0 109.256 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -74.06 68.27 1.38 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.316 -0.865 . . . . 0.0 109.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 20.2 tt0 -101.64 -149.74 0.39 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.554 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 66.2 mmtt -70.07 -32.15 70.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.396 -0.815 . . . . 0.0 109.779 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.71 -40.28 87.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.971 -1.081 . . . . 0.0 109.596 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.11 -40.23 88.95 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.883 -1.136 . . . . 0.0 108.556 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -64.17 -45.6 87.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.131 -0.981 . . . . 0.0 109.048 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -91.86 81.17 5.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.15 -0.969 . . . . 0.0 108.836 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -70.27 -25.76 63.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.328 -0.857 . . . . 0.0 110.307 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -61.23 -40.1 92.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.143 -0.973 . . . . 0.0 109.675 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.06 88.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.8 ttm -60.93 -44.13 97.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.507 -0.746 . . . . 0.0 109.546 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.48 -44.8 95.52 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.412 -0.805 . . . . 0.0 109.637 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -67.59 -40.03 84.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.663 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -63.02 -40.1 96.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.169 -0.957 . . . . 0.0 109.846 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.38 4.03 43.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.26 -0.9 . . . . 0.0 110.211 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 53.1 45.53 28.53 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.209 -0.932 . . . . 0.0 110.44 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 39.4 mt -117.31 150.77 46.98 Favored Pre-proline 0 N--CA 1.503 2.219 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.7 Cg_endo -71.5 150.46 57.68 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 121.372 1.382 . . . . 0.0 111.133 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -41.24 -18.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.183 1.922 . . . . 0.0 112.372 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -59.99 -50.86 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.779 -1.201 . . . . 0.0 110.961 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -68.89 -42.95 82.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 120.953 -1.092 . . . . 0.0 109.329 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.33 99.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.058 -1.026 . . . . 0.0 109.636 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.84 -39.59 89.64 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.148 -0.97 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -60.27 -40.04 88.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.864 -1.148 . . . . 0.0 109.514 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' B' ' 22' ' ' MET . 10.5 mt -64.06 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.92 -39.99 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.458 -0.777 . . . . 0.0 108.923 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.401 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.46 -33.1 73.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.625 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -72.78 -38.9 67.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.7 112.98 10.32 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 109.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.49 -40.27 90.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.453 -0.779 . . . . 0.0 109.96 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.67 -45.47 91.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.333 -0.855 . . . . 0.0 110.465 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -77.58 -34.42 53.61 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.729 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.2 tt0 -79.09 -69.73 0.55 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.227 -0.921 . . . . 0.0 110.486 -178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.11 139.1 52.46 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.144 -0.973 . . . . 0.0 109.535 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -85.22 146.65 26.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.234 -0.917 . . . . 0.0 108.73 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.74 159.15 50.76 Favored Glycine 0 N--CA 1.493 2.449 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.136 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 54.04 61.79 2.89 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.406 -1.055 . . . . 0.0 110.412 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.92 173.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.108 -0.995 . . . . 0.0 109.064 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 50' ' ' MET . 65.5 mtt -51.94 137.95 25.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.986 -1.071 . . . . 0.0 109.446 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -124.12 -9.08 7.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.506 -0.746 . . . . 0.0 109.033 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.81 172.82 30.23 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -101.97 133.84 46.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.46 -1.024 . . . . 0.0 109.437 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.419 ' O ' HG13 ' B' ' 54' ' ' VAL . 14.9 p -132.57 132.66 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 24.6 p-10 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.969 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 55.4 m-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.534 0.683 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.23 -41.7 93.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.765 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.08 -45.18 86.32 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.035 -1.041 . . . . 0.0 109.983 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.91 96.64 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.57 -40.02 83.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.584 -0.951 . . . . 0.0 110.164 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.2 -45.53 92.86 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.047 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.63 -40.45 76.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.032 -1.043 . . . . 0.0 109.066 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.09 74.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.558 -0.713 . . . . 0.0 110.748 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.16 124.37 20.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.098 -1.001 . . . . 0.0 110.007 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -149.55 -163.98 1.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.788 . . . . 0.0 109.467 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -70.99 152.93 43.08 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.333 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 75.1 t60 -64.47 75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 110.08 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 43.3 mt-10 -92.58 -169.78 2.3 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.706 0.765 . . . . 0.0 109.719 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.22 -27.22 65.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.739 -0.6 . . . . 0.0 109.598 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -58.78 -30.75 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.208 -0.932 . . . . 0.0 110.075 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -60.26 -40.08 89.05 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.696 -1.253 . . . . 0.0 108.783 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.6 p -63.12 -39.76 95.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -91.67 83.1 5.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 109.381 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -69.83 -26.82 64.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.05 -1.031 . . . . 0.0 109.672 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -40.59 92.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 0.0 109.562 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.67 97.52 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.189 -0.944 . . . . 0.0 109.534 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 36' ' ' ILE . 41.3 ttm -62.44 -46.09 90.11 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.367 -0.833 . . . . 0.0 109.754 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.01 -40.37 96.2 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.272 -0.893 . . . . 0.0 108.988 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.504 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -62.56 -40.32 96.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.052 . . . . 0.0 110.495 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.42 -2.78 26.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.5 m-20 53.69 50.1 17.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.409 -0.807 . . . . 0.0 110.729 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.73 149.54 46.61 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.319 -0.863 . . . . 0.0 109.517 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 51.1 Cg_exo -48.45 140.32 21.36 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.463 1.442 . . . . 0.0 110.99 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.76 -15.74 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.496 1.464 . . . . 0.0 111.599 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 71.4 t -60.09 -50.69 79.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.883 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.37 -45.39 96.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.898 -1.126 . . . . 0.0 109.674 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.64 96.81 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -62.68 -40.25 96.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.975 -1.078 . . . . 0.0 110.144 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.58 -40.14 95.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.861 -1.149 . . . . 0.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.438 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.2 mt -61.44 -43.69 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.041 -1.037 . . . . 0.0 109.314 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.57 -40.37 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.0 68.71 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.444 0.64 . . . . 0.0 109.696 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -70.68 -39.33 73.59 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.388 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.79 111.59 7.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.066 -1.021 . . . . 0.0 108.57 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -59.85 -40.38 88.37 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.265 -0.897 . . . . 0.0 110.652 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -59.79 -39.24 84.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.033 -1.042 . . . . 0.0 109.852 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -74.24 -34.88 63.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.093 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -79.55 -71.29 0.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -78.19 129.64 35.36 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.205 -0.934 . . . . 0.0 110.148 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.0 -6.51 57.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.96 25.34 75.95 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.52 131.39 34.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.28 -1.129 . . . . 0.0 110.345 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.82 121.41 0.93 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 108.884 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.511 ' O ' ' O ' ' B' ' 50' ' ' MET . 62.9 mtt -90.73 121.18 32.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.958 -1.089 . . . . 0.0 109.656 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -172.44 156.04 3.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 0.0 109.756 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.86 -104.1 2.32 Favored Glycine 0 N--CA 1.504 3.177 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -75.0 155.92 36.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -1.17 . . . . 0.0 109.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -99.55 122.54 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.338 -0.851 . . . . 0.0 109.693 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 t0 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.998 -179.532 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 64.6 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.287 0.565 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.17 -42.19 94.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.307 -0.871 . . . . 0.0 110.532 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.81 -45.79 88.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.136 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.52 95.94 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.61 -39.47 82.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.486 -1.008 . . . . 0.0 110.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.82 -47.11 87.85 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.954 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.03 -40.28 78.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 109.266 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -37.1 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.352 -0.842 . . . . 0.0 110.637 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.36 125.35 23.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.072 -1.017 . . . . 0.0 109.765 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -151.01 -165.18 2.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.44 -0.787 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 13' ' ' GLU . 45.4 mt-10 -70.16 151.48 45.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.479 -0.763 . . . . 0.0 109.67 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 73.1 t60 -63.71 74.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.025 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' GLU . 44.2 mt-10 -92.08 -168.63 2.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.83 -26.23 64.13 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.291 0.567 . . . . 0.0 109.848 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.22 -31.01 68.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.219 -0.926 . . . . 0.0 109.981 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.69 -39.47 88.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.702 -1.249 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -63.66 -40.17 96.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.038 -1.039 . . . . 0.0 109.359 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -91.46 83.43 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.37 -0.831 . . . . 0.0 109.228 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -70.39 -26.22 63.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.117 -0.989 . . . . 0.0 109.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.49 -40.46 91.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.592 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.7 98.25 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.142 -0.973 . . . . 0.0 109.105 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.443 ' SD ' HD12 ' B' ' 36' ' ' ILE . 43.2 ttm -61.76 -47.25 86.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.551 -0.718 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.4 -40.51 97.4 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.873 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t -67.58 -40.63 84.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 109.773 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 110.488 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -103.16 -3.89 25.18 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.171 -0.956 . . . . 0.0 110.038 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.72 49.88 18.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.43 -0.794 . . . . 0.0 110.642 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -117.97 149.71 45.95 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.282 -0.886 . . . . 0.0 109.431 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 31' ' ' VAL . 52.0 Cg_exo -47.97 140.02 19.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.23 1.286 . . . . 0.0 111.127 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.89 -15.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.456 1.437 . . . . 0.0 111.534 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' B' ' 29' ' ' PRO . 66.2 t -59.77 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.332 -0.855 . . . . 0.0 110.945 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.8 -45.61 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.892 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 110.1 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.83 -39.8 95.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.972 -1.08 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -62.24 -40.04 94.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.992 -1.068 . . . . 0.0 109.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.9 mt -62.7 -41.61 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.008 -1.058 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.64 -40.12 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.29 70.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.516 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -70.16 -39.32 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.533 -0.73 . . . . 0.0 109.814 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.5 112.7 8.79 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.911 -1.118 . . . . 0.0 108.675 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.456 -0.777 . . . . 0.0 110.944 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -60.73 -39.4 88.5 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.024 -1.047 . . . . 0.0 109.801 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.66 -34.69 65.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 110.158 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.71 -71.57 0.44 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 110.564 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 mt -78.64 130.58 36.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.182 -0.949 . . . . 0.0 109.648 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.9 -8.28 54.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.037 -1.039 . . . . 0.0 109.084 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 22.07 78.62 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -81.76 133.27 35.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.077 -1.249 . . . . 0.0 110.173 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.6 124.5 0.96 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.511 ' O ' ' O ' ' A' ' 50' ' ' MET . 63.1 mtt -94.48 119.98 34.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.84 -1.163 . . . . 0.0 109.561 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -172.38 154.97 3.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.052 -1.03 . . . . 0.0 109.624 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 -104.76 2.18 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -74.32 154.53 38.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.246 . . . . 0.0 109.27 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.34 123.35 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.035 -1.04 . . . . 0.0 109.47 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.979 -179.596 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.97 -40.33 92.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.457 -0.777 . . . . 0.0 110.267 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 23.9 p-10 -65.02 -48.26 74.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.137 -0.977 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' ASP . . . -55.47 -36.75 64.54 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.93 -39.83 85.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.422 -1.046 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -59.9 -47.25 86.54 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.482 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.49 -40.5 76.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.099 -1.0 . . . . 0.0 109.494 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.67 75.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.72 -0.613 . . . . 0.0 110.053 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.76 141.75 56.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.18 -0.95 . . . . 0.0 109.641 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.96 -176.9 4.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.425 -0.797 . . . . 0.0 109.905 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.33 158.09 12.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 110.081 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 71.6 t60 -77.62 73.75 4.19 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.208 -0.932 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -98.82 -160.86 0.83 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.545 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.37 -26.25 64.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 108.892 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -59.89 -37.95 80.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 108.756 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 0.0 108.851 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.6 p -61.2 -41.92 97.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.056 -1.028 . . . . 0.0 108.814 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -97.79 91.53 5.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.384 -0.823 . . . . 0.0 109.195 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -72.91 -24.74 60.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.115 -0.991 . . . . 0.0 109.874 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.4 -41.94 94.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.3 78.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.09 -41.15 99.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.0 109.9 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.01 96.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.296 -0.877 . . . . 0.0 108.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -69.06 -40.05 78.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.782 . . . . 0.0 109.715 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.26 -40.21 93.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.141 -0.974 . . . . 0.0 110.911 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.16 3.72 43.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.106 -0.996 . . . . 0.0 109.694 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m120 53.18 44.64 29.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.817 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.87 151.63 44.92 Favored Pre-proline 0 N--CA 1.501 2.111 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.27 160.01 51.05 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.734 1.623 . . . . 0.0 110.637 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.07 -19.33 26.23 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.125 1.883 . . . . 0.0 111.614 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.71 -50.76 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.866 -1.146 . . . . 0.0 109.948 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.49 -45.47 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.907 -1.121 . . . . 0.0 109.116 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.16 92.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.552 -0.718 . . . . 0.0 109.709 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.26 -40.04 94.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.045 -1.034 . . . . 0.0 109.833 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.1 tm-20 -61.08 -42.04 97.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.833 -1.167 . . . . 0.0 109.978 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.96 -40.77 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 0.0 108.421 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -40.39 87.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.549 -0.719 . . . . 0.0 109.076 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.99 67.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.55 -0.719 . . . . 0.0 110.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.1 m -71.98 -34.91 69.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 109.803 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -73.93 114.92 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.039 -1.038 . . . . 0.0 109.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.251 -0.906 . . . . 0.0 110.485 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.14 -40.57 90.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 110.125 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -78.52 -29.86 46.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.075 -1.015 . . . . 0.0 109.825 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -72.6 -76.03 0.13 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.457 -0.777 . . . . 0.0 110.013 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.43 122.38 21.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 108.532 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -88.09 -8.95 54.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.088 -1.008 . . . . 0.0 109.476 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.82 -178.9 39.6 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' ALA . 98.2 mt-10 51.01 34.51 10.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.94 -1.329 . . . . 0.0 108.4 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . -60.8 -140.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.62 -0.675 . . . . 0.0 110.448 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.559 ' O ' ' O ' ' B' ' 50' ' ' MET . 11.5 tpt -68.81 139.6 55.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.913 . . . . 0.0 110.173 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' B' ' 51' ' ' HIS . 96.9 m-70 -79.14 -37.13 39.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.824 -1.172 . . . . 0.0 109.077 179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.46 -127.96 46.26 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.126 -1.189 . . . . 0.0 110.126 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -149.41 160.05 43.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -1.147 . . . . 0.0 109.586 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.02 139.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 0.0 109.456 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 14.5 p-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.074 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.397 0.618 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.87 -40.05 91.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 110.163 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 24.4 p-10 -65.64 -47.99 73.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.249 -0.907 . . . . 0.0 110.466 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -55.6 -36.72 65.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.89 -39.76 85.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.394 -1.063 . . . . 0.0 110.289 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -59.8 -47.78 84.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.152 -0.967 . . . . 0.0 109.44 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.17 -40.9 77.84 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.117 -0.989 . . . . 0.0 109.411 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.84 -36.1 75.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.281 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.97 141.57 57.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 109.531 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.03 -176.74 4.29 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.62 0.724 . . . . 0.0 110.197 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.64 157.18 15.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 110.036 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.4 t60 -76.38 73.1 3.15 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -98.62 -161.1 0.85 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.43 -0.794 . . . . 0.0 109.789 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.26 -26.4 64.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.257 -0.902 . . . . 0.0 109.075 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.46 -38.42 80.73 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.34 -0.85 . . . . 0.0 108.979 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.7 p -61.6 -41.98 98.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.915 -1.116 . . . . 0.0 108.775 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -97.5 90.53 5.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.368 -0.832 . . . . 0.0 109.357 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -71.94 -24.92 61.7 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.994 -1.066 . . . . 0.0 109.905 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -60.62 -41.34 94.64 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.192 -0.942 . . . . 0.0 109.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.72 76.46 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.184 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.9 -40.72 98.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.276 -0.89 . . . . 0.0 109.999 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.18 93.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.7 t -69.82 -40.07 76.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.335 -0.853 . . . . 0.0 109.647 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.91 -40.43 93.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.405 -0.809 . . . . 0.0 110.794 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.24 3.6 43.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.131 -0.98 . . . . 0.0 109.531 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m120 53.51 44.56 29.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 109.646 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 mt -114.03 151.45 44.88 Favored Pre-proline 0 N--CA 1.5 2.046 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.91 160.32 50.1 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.66 1.574 . . . . 0.0 110.617 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.45 -18.85 26.71 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.095 1.863 . . . . 0.0 111.655 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.19 -50.35 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.004 -1.06 . . . . 0.0 109.981 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.68 -45.17 81.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.101 -0.999 . . . . 0.0 108.989 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.34 92.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.514 -0.741 . . . . 0.0 109.923 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.86 -40.22 96.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 109.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.7 tm-20 -60.78 -41.79 96.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.961 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.63 -39.98 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 108.622 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.58 -40.94 90.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.21 68.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.461 -0.775 . . . . 0.0 110.074 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 66.4 m -71.85 -35.17 69.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 0.0 109.804 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -73.31 114.65 11.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 109.029 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.55 -40.53 91.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.419 -0.801 . . . . 0.0 110.304 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.08 -40.13 88.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.069 -1.019 . . . . 0.0 110.32 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -78.59 -30.23 46.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.778 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -72.49 -75.89 0.13 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.341 -0.85 . . . . 0.0 109.853 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.52 122.31 21.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.963 -1.085 . . . . 0.0 108.724 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -87.99 -8.88 55.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.927 -1.108 . . . . 0.0 109.552 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.86 39.19 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 49' ' ' ALA . 98.4 mt-10 50.94 34.7 10.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.001 -1.293 . . . . 0.0 108.291 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' B' ' 48' ' ' GLU . . . -60.88 -140.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.357 0.599 . . . . 0.0 110.38 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 50' ' ' MET . 11.1 tpt -68.67 139.55 55.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.459 -0.776 . . . . 0.0 110.01 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 51' ' ' HIS . 96.9 m-70 -79.3 -37.47 37.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.894 -1.129 . . . . 0.0 108.754 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.31 -127.66 45.7 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 0.3 OUTLIER -149.76 160.16 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.468 -1.019 . . . . 0.0 109.456 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -97.69 139.83 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.394 -0.816 . . . . 0.0 109.492 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.334 179.593 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.565 0.698 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.89 -40.0 91.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.381 -0.824 . . . . 0.0 110.513 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.27 -39.96 93.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.976 -1.078 . . . . 0.0 110.552 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.73 93.6 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.0 mt -67.93 -40.19 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.588 -0.948 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -61.0 -44.6 97.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.031 -1.043 . . . . 0.0 109.371 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.56 -39.96 77.1 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.119 -0.988 . . . . 0.0 108.507 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.88 67.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.536 -0.727 . . . . 0.0 109.893 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.5 tt0 -61.35 140.12 58.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.0 110.01 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.66 166.93 13.69 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLU . 46.1 mt-10 -51.09 148.99 3.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.088 -1.007 . . . . 0.0 110.224 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 74.9 t60 -63.59 72.58 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.468 -0.77 . . . . 0.0 109.919 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLU . 99.1 mt-10 -88.85 -167.61 1.93 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.266 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.06 -24.79 63.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.379 -0.826 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.02 -32.22 70.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.293 -0.879 . . . . 0.0 110.148 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -60.04 -39.93 87.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.591 -1.318 . . . . 0.0 109.035 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -61.62 -40.57 95.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.0 108.885 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.59 82.87 4.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.363 -0.836 . . . . 0.0 108.91 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.99 -26.85 64.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 0.0 109.718 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.78 -41.1 94.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 0.0 110.29 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.92 99.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.189 -0.944 . . . . 0.0 109.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 50.1 ttp -65.45 -40.67 93.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.632 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.26 96.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.052 -1.03 . . . . 0.0 109.392 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.4 m -67.85 -40.34 83.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.385 -0.822 . . . . 0.0 110.562 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -61.2 -40.21 93.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 110.011 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -98.27 0.49 45.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.407 -0.808 . . . . 0.0 109.648 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 53.75 47.84 22.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.799 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.41 151.53 48.2 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.82 160.07 51.17 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.551 1.5 . . . . 0.0 110.716 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.15 -17.59 15.45 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.375 2.05 . . . . 0.0 111.907 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -49.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 120.581 -1.324 . . . . 0.0 110.007 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.01 -44.71 81.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.991 -1.068 . . . . 0.0 109.175 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.83 97.64 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.22 -39.87 94.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 0.0 109.636 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 7.1 tm-20 -61.78 -40.73 96.21 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.002 -1.061 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.83 -40.05 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.026 -1.046 . . . . 0.0 108.346 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.09 -39.96 85.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.46 -30.88 69.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.439 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.5 m -72.27 -39.89 68.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.579 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.3 t -75.62 109.78 9.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.978 . . . . 0.0 108.77 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.19 -39.96 88.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.383 -0.823 . . . . 0.0 110.846 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -40.02 89.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -75.94 -32.26 59.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.0 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -79.5 -70.86 0.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.365 -0.835 . . . . 0.0 110.998 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -75.98 114.66 14.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.0 109.915 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.15 -15.72 30.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.305 -0.872 . . . . 0.0 108.884 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.6 72.91 0.83 Allowed Glycine 0 N--CA 1.499 2.853 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 5.4 mp0 -89.89 122.94 33.39 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.232 -1.157 . . . . 0.0 109.823 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.12 151.07 20.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.439 -0.788 . . . . 0.0 110.17 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.1 ttm -90.0 -77.7 0.39 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.734 . . . . 0.0 109.877 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' N ' ' A' ' 52' ' ' GLY . 1.4 t-80 -70.3 127.78 33.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.43 -0.794 . . . . 0.0 110.026 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' ' ND1' ' A' ' 51' ' ' HIS . . . -73.74 -156.77 4.34 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -80.01 156.84 26.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -1.215 . . . . 0.0 109.777 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.73 17.85 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.218 -0.926 . . . . 0.0 109.333 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.453 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.541 0.686 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.97 -40.08 92.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.493 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -65.07 -39.97 94.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 110.541 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.86 93.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.2 mt -67.99 -40.07 82.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.714 -0.874 . . . . 0.0 110.258 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.04 -44.79 96.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.01 -1.056 . . . . 0.0 109.339 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.37 -39.99 77.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.192 -0.943 . . . . 0.0 108.492 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.99 -29.91 67.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.533 -0.729 . . . . 0.0 109.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -61.44 140.06 58.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.997 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.64 166.96 13.72 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 13' ' ' GLU . 46.4 mt-10 -51.15 148.64 4.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.116 -0.99 . . . . 0.0 110.226 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.0 t60 -63.27 72.29 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 109.905 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' B' ' 11' ' ' GLU . 99.3 mt-10 -88.42 -167.68 1.96 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.388 -0.82 . . . . 0.0 109.317 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.03 -24.83 63.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.355 -0.841 . . . . 0.0 109.385 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -59.96 -32.34 70.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 110.208 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -59.99 -40.08 87.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.627 -1.295 . . . . 0.0 108.964 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -61.64 -40.31 94.44 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.996 -1.065 . . . . 0.0 108.899 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.55 82.82 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.317 -0.865 . . . . 0.0 108.785 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.96 -26.73 64.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.02 -40.95 95.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.983 . . . . 0.0 110.237 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.14 99.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.945 . . . . 0.0 109.738 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.3 ttp -65.32 -40.62 93.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.325 -0.859 . . . . 0.0 109.545 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.36 96.37 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.947 . . . . 0.0 109.418 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.1 m -67.73 -40.44 84.2 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.624 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -40.33 93.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.149 -0.97 . . . . 0.0 109.981 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -98.3 0.64 45.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.366 -0.834 . . . . 0.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 53.75 47.46 23.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.12 151.36 47.57 Favored Pre-proline 0 N--CA 1.498 1.961 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.85 160.01 51.46 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.609 1.539 . . . . 0.0 110.781 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.09 -17.49 14.86 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.423 2.082 . . . . 0.0 112.042 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -49.9 82.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 120.705 -1.247 . . . . 0.0 110.011 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.36 -44.47 80.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.86 -1.15 . . . . 0.0 109.11 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.56 97.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.345 -0.847 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -64.31 -39.96 94.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.981 -1.074 . . . . 0.0 109.686 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 7.4 tm-20 -61.74 -40.5 95.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 109.904 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.08 -40.02 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.25 -39.88 85.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.88 69.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.579 -0.7 . . . . 0.0 109.554 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 70.9 m -72.24 -39.98 68.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.02 -1.05 . . . . 0.0 109.529 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.48 109.82 9.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 108.822 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.913 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.54 -39.97 89.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.0 109.927 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -75.91 -32.36 59.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.905 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -79.4 -70.86 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 110.977 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.88 114.38 14.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.233 -0.917 . . . . 0.0 109.958 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.05 -15.55 31.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.871 . . . . 0.0 108.89 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 72.94 0.84 Allowed Glycine 0 N--CA 1.499 2.843 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' B' ' 48' ' ' GLU . 5.5 mp0 -89.9 122.9 33.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.282 -1.128 . . . . 0.0 109.827 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.61 150.82 20.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.572 -0.705 . . . . 0.0 110.228 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.2 ttm -90.03 -77.85 0.38 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.544 -0.722 . . . . 0.0 109.751 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' B' ' 52' ' ' GLY . 1.4 t-80 -70.43 127.72 33.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.432 ' N ' ' ND1' ' B' ' 51' ' ' HIS . . . -73.62 -156.91 4.3 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.02 156.89 26.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.06 -1.259 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.3 m -97.02 18.07 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.295 -0.878 . . . . 0.0 109.442 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 117.988 -1.005 . . . . 0.0 109.443 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 52.2 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.497 0.665 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.52 -42.07 98.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 111.238 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.14 -49.49 77.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.807 -1.183 . . . . 0.0 110.968 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.16 88.16 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.6 mt -68.62 -40.99 82.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.47 -1.018 . . . . 0.0 110.224 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.62 -50.13 73.82 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 109.675 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -68.56 -40.12 80.76 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.204 -0.935 . . . . 0.0 108.829 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.98 76.13 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 0.0 109.924 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 30.5 tt0 -61.29 129.95 43.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.297 -0.877 . . . . 0.0 109.209 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.28 -166.89 2.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.528 -0.733 . . . . 0.0 109.334 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' GLU . 58.1 mp0 -70.58 158.79 35.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 108.817 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 73.0 t60 -65.01 70.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.657 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 11' ' ' GLU . 53.7 mt-10 -85.94 -165.67 1.31 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.374 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.08 -25.94 63.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 0.0 109.773 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.82 -35.95 75.79 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 109.324 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -60.5 -40.4 91.24 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.31 -47.52 83.93 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.748 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.92 87.11 5.67 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.307 -0.87 . . . . 0.0 109.02 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -70.9 -29.72 65.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.093 -1.004 . . . . 0.0 110.025 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.57 -40.04 90.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.975 . . . . 0.0 109.561 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.17 87.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.95 . . . . 0.0 109.819 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -63.18 -40.26 97.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.167 -0.958 . . . . 0.0 109.998 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.43 -42.22 98.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.971 -1.08 . . . . 0.0 109.368 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -67.65 -40.01 84.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 109.761 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.73 -40.33 91.99 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.484 -0.76 . . . . 0.0 109.8 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.03 0.72 38.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.381 -0.824 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.5 m120 53.51 45.97 27.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -115.45 153.45 47.65 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.58 159.43 53.56 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.34 1.36 . . . . 0.0 110.643 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.88 -20.64 18.34 Favored 'Trans proline' 0 C--N 1.299 -2.029 0 C-N-CA 122.052 1.835 . . . . 0.0 111.821 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.73 -57.61 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.969 -1.082 . . . . 0.0 109.504 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.65 -48.48 87.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.424 -0.797 . . . . 0.0 109.284 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.28 -49.48 77.42 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.387 -0.821 . . . . 0.0 109.899 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.3 -40.41 96.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.932 -1.105 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.7 tm-20 -60.49 -40.96 93.24 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.991 -1.068 . . . . 0.0 110.185 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.68 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.774 -1.204 . . . . 0.0 108.727 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 33' ' ' ALA . 49.7 t -67.79 -39.39 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -30.2 69.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.391 -0.818 . . . . 0.0 109.936 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.402 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 57.8 m -71.57 -32.9 68.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 109.285 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.36 114.6 12.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -40.28 92.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.901 . . . . 0.0 111.142 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.281 -0.887 . . . . 0.0 109.888 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.444 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 95.9 m -72.27 -31.34 65.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -79.35 -70.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.468 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.61 140.11 49.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 109.094 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -80.1 -32.15 39.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 110.035 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.72 -135.51 3.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -61.08 137.31 58.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -1.138 . . . . 0.0 109.406 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -106.98 0.1 23.46 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.668 -0.645 . . . . 0.0 110.226 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.0 mtp -112.8 9.07 19.01 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.328 -0.858 . . . . 0.0 110.465 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -149.49 159.15 44.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.861 -1.149 . . . . 0.0 109.9 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.05 -113.21 0.31 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' H ' ' CE ' ' B' ' 50' ' ' MET . 80.7 mt-30 -99.96 12.19 37.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.437 -1.037 . . . . 0.0 109.296 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.4 p -91.79 134.45 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.56 -0.712 . . . . 0.0 109.416 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.691 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.3 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.41 0.624 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.46 -42.83 96.99 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.685 -0.634 . . . . 0.0 111.268 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.76 -49.77 76.15 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.051 . . . . 0.0 111.096 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.09 92.69 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.0 -42.02 88.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.639 -0.918 . . . . 0.0 110.339 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.74 -50.0 75.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.102 -0.999 . . . . 0.0 109.627 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.71 -39.94 80.23 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.139 -0.976 . . . . 0.0 108.844 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.71 75.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.538 -0.726 . . . . 0.0 110.029 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.19 129.93 43.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.132 -0.98 . . . . 0.0 109.344 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -151.38 -167.08 2.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 109.507 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 13' ' ' GLU . 56.4 mp0 -70.17 157.46 37.58 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.497 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.8 t60 -64.29 70.01 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.216 -0.927 . . . . 0.0 109.852 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.2 mt-10 -85.49 -166.33 1.48 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 109.434 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.22 -25.63 63.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -59.52 -36.14 75.52 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.203 -0.936 . . . . 0.0 109.208 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -60.68 -40.24 91.42 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.923 -1.111 . . . . 0.0 108.944 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -63.29 -45.25 92.31 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.789 -1.194 . . . . 0.0 108.78 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -94.16 86.18 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -70.92 -29.13 65.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.0 109.785 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.47 -40.01 92.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.216 -0.928 . . . . 0.0 109.624 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.5 93.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.097 -1.002 . . . . 0.0 109.73 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.7 ttp -64.2 -40.19 95.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.878 . . . . 0.0 109.91 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.08 97.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.031 -1.043 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -68.07 -40.2 82.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.434 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.48 -40.82 92.67 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.462 -0.774 . . . . 0.0 110.021 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -101.09 1.22 39.13 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.505 -0.747 . . . . 0.0 110.034 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 52.82 47.54 24.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.139 -0.975 . . . . 0.0 109.818 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 mt -116.52 152.81 48.64 Favored Pre-proline 0 N--CA 1.498 1.967 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.06 158.91 56.03 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.364 1.376 . . . . 0.0 110.636 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.43 -20.69 16.2 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.151 1.901 . . . . 0.0 111.831 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.38 -58.13 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.785 -1.197 . . . . 0.0 109.588 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.45 -48.78 86.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.379 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.21 -48.74 80.44 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.241 -0.912 . . . . 0.0 109.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -63.17 -39.76 95.57 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.905 -1.122 . . . . 0.0 109.729 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.61 -41.26 94.44 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.968 -1.082 . . . . 0.0 110.188 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.67 -40.33 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.914 -1.116 . . . . 0.0 108.57 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 33' ' ' ALA . 59.7 t -68.05 -39.8 82.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.67 71.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.7 m -71.25 -33.49 69.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.125 -0.984 . . . . 0.0 109.408 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.1 113.97 11.9 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.212 -0.93 . . . . 0.0 108.597 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.6 -40.35 91.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.33 -0.856 . . . . 0.0 110.783 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.33 -39.36 86.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 109.714 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 94.4 m -72.55 -32.76 66.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.113 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -77.74 -70.96 0.44 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.499 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.28 139.92 50.16 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.938 . . . . 0.0 109.193 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -80.1 -31.45 39.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.72 -136.87 4.14 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.07 137.69 58.04 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.055 -1.262 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -109.05 1.44 20.51 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.677 -0.639 . . . . 0.0 109.947 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.439 ' CE ' ' H ' ' A' ' 53' ' ' GLN . 88.6 mtp -112.4 7.65 19.23 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -149.45 159.28 44.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.782 -1.198 . . . . 0.0 109.927 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.79 -113.7 0.32 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -99.11 12.14 36.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.264 -1.139 . . . . 0.0 109.307 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.403 ' O ' HG13 ' B' ' 54' ' ' VAL . 8.4 p -91.9 134.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.333 -0.854 . . . . 0.0 109.403 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.092 -1.005 . . . . 0.0 109.627 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 61.4 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.484 0.659 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.17 -40.32 93.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.529 -0.732 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.13 -47.81 84.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.215 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -36.19 92.51 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.75 -40.55 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.593 -0.945 . . . . 0.0 110.036 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.98 -47.61 85.11 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.95 -1.094 . . . . 0.0 109.521 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -69.97 -40.28 75.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.157 -0.964 . . . . 0.0 109.801 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.22 70.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 0.0 110.036 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.88 136.13 57.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.909 . . . . 0.0 109.605 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.34 169.66 6.21 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.19 170.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.007 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 77.1 t60 -74.53 67.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 122.006 0.908 . . . . 0.0 109.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -71.76 173.17 8.56 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.53 -23.97 65.5 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.076 -1.015 . . . . 0.0 108.704 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -59.09 -27.18 65.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.032 -1.043 . . . . 0.0 109.707 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.88 -39.9 86.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 108.882 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.2 p -61.87 -40.24 94.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.864 -1.147 . . . . 0.0 109.177 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.07 83.17 4.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.255 -0.903 . . . . 0.0 109.599 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -71.56 -27.08 62.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.291 -0.881 . . . . 0.0 111.008 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -60.25 -40.43 90.26 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.928 -1.107 . . . . 0.0 110.216 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.81 89.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.11 -0.994 . . . . 0.0 109.171 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.56 -46.22 91.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.424 -0.798 . . . . 0.0 109.625 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.02 -41.26 97.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.179 -0.951 . . . . 0.0 109.561 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -68.11 -40.31 82.57 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.5 -0.75 . . . . 0.0 110.157 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -40.02 95.49 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.157 -0.965 . . . . 0.0 110.329 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.0 1.7 36.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.208 -0.933 . . . . 0.0 110.237 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 54.01 49.32 19.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.033 -1.042 . . . . 0.0 109.064 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 80.8 mt -119.3 151.18 50.77 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.4 Cg_endo -68.72 149.69 73.54 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.652 1.568 . . . . 0.0 111.624 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -41.83 -21.77 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.195 1.93 . . . . 0.0 112.696 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -60.02 -50.09 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 111.028 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.31 -45.0 86.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.471 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.3 94.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.208 -0.932 . . . . 0.0 110.355 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.31 -40.07 93.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.954 -1.091 . . . . 0.0 110.091 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.58 -40.9 93.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.038 . . . . 0.0 109.795 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.33 -40.16 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.1 -1.0 . . . . 0.0 108.609 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.18 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.665 -0.647 . . . . 0.0 110.323 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -74.69 -32.34 62.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.064 . . . . 0.0 110.15 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -75.74 113.2 12.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.952 -1.093 . . . . 0.0 108.923 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -61.01 -39.5 89.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.295 -0.878 . . . . 0.0 110.339 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.45 -39.52 87.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.038 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 73.2 m -74.36 -32.42 62.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.893 -1.129 . . . . 0.0 109.746 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -75.88 -74.22 0.23 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.929 . . . . 0.0 110.436 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.04 132.08 41.05 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.034 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -89.35 120.4 30.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -0.925 . . . . 0.0 109.578 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.94 -148.27 0.44 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -94.4 134.24 37.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.106 -1.232 . . . . 0.0 109.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 146.87 47.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.226 -0.921 . . . . 0.0 109.723 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ptp -167.92 143.3 3.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -100.33 -90.09 0.33 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.328 -0.857 . . . . 0.0 110.229 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.94 142.1 17.44 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -109.19 119.51 39.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.242 -1.152 . . . . 0.0 109.643 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 54' ' ' VAL . 12.4 p -102.71 129.29 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.311 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.389 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 58.9 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.424 0.631 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.34 -40.46 90.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.453 -0.78 . . . . 0.0 110.139 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.01 -49.01 79.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.997 . . . . 0.0 110.163 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.19 -36.13 89.81 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.46 -40.35 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.34 -1.094 . . . . 0.0 110.414 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.05 -47.49 85.63 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.828 -1.17 . . . . 0.0 109.197 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.76 -40.39 76.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.126 -0.984 . . . . 0.0 109.931 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.39 68.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.316 -0.865 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.92 137.09 58.17 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.322 -0.861 . . . . 0.0 109.635 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -172.74 170.03 4.78 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -48.98 171.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.965 -1.085 . . . . 0.0 110.079 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.0 t60 -74.47 67.7 1.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.891 0.853 . . . . 0.0 109.192 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -71.91 173.1 8.78 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.63 -23.56 65.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.043 -1.036 . . . . 0.0 108.644 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -58.71 -27.98 65.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.119 -0.988 . . . . 0.0 109.809 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.64 -40.26 87.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.8 -1.188 . . . . 0.0 108.822 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.3 p -61.47 -40.25 93.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.887 -1.133 . . . . 0.0 109.017 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.74 83.09 3.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.077 -1.015 . . . . 0.0 109.766 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -70.94 -27.54 63.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 111.084 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.67 -40.05 90.65 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.76 -1.212 . . . . 0.0 110.306 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.06 89.42 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 108.78 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.2 ttm -60.74 -45.82 92.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.971 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.67 -41.08 98.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -0.949 . . . . 0.0 109.481 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -68.59 -39.97 80.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.567 -0.708 . . . . 0.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.31 -40.26 95.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.24 -0.913 . . . . 0.0 110.367 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.78 1.58 37.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 54.61 47.03 23.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.93 -1.106 . . . . 0.0 109.304 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 85.2 mt -117.47 150.8 47.26 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.3 Cg_endo -69.21 149.23 70.18 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.678 1.585 . . . . 0.0 111.803 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -40.92 -21.69 0.11 Allowed 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 122.112 1.875 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.6 -50.51 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.939 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.67 -44.86 85.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.524 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.59 95.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.043 -1.036 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -66.14 -39.97 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.915 -1.115 . . . . 0.0 109.982 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.4 tm-20 -60.89 -40.26 92.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 109.554 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.64 -39.98 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.817 -1.177 . . . . 0.0 108.531 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.34 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.13 66.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.699 -0.625 . . . . 0.0 110.352 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 56.0 m -73.87 -32.68 63.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.058 -1.026 . . . . 0.0 110.17 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.27 113.17 12.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 0.0 108.891 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.89 -39.88 90.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.85 . . . . 0.0 110.383 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.77 -39.92 86.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.933 . . . . 0.0 110.224 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 71.7 m -74.27 -32.93 63.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.04 -73.39 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 0.0 110.428 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.3 130.94 39.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.085 -1.01 . . . . 0.0 109.087 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -89.05 120.86 30.84 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.163 -0.961 . . . . 0.0 109.618 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.41 -149.13 0.45 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -94.19 136.03 34.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.33 -1.1 . . . . 0.0 109.29 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.72 146.03 46.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.1 ptp -167.63 143.11 3.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.07 -1.018 . . . . 0.0 109.764 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -100.44 -90.1 0.33 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.509 -0.745 . . . . 0.0 110.175 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.17 141.5 16.92 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -108.23 119.92 40.88 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.325 -1.103 . . . . 0.0 109.632 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.45 ' O ' HG13 ' B' ' 54' ' ' VAL . 12.2 p -103.11 128.03 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.452 -0.78 . . . . 0.0 109.304 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.221 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 56.4 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.344 0.592 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.51 -40.3 90.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.737 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 -53.3 52.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.0 110.69 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.74 -34.65 83.19 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 57.3 mt -68.08 -39.93 82.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.997 . . . . 0.0 110.017 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.06 -46.8 88.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 0.0 109.533 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.77 -40.11 79.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.026 -1.046 . . . . 0.0 108.881 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.37 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.626 -0.671 . . . . 0.0 109.751 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -60.86 136.97 58.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.35 -0.843 . . . . 0.0 109.255 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.92 -169.57 0.9 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.341 -0.849 . . . . 0.0 108.909 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 44.5 tt0 -63.62 149.95 45.29 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 109.884 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 67.8 t60 -64.93 77.11 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 109.596 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.4 mm-40 -88.61 -166.46 1.6 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.492 -0.755 . . . . 0.0 109.693 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.67 64.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.497 -0.752 . . . . 0.0 109.265 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -58.81 -34.16 71.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 109.458 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.885 -1.134 . . . . 0.0 109.206 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.63 -41.83 98.22 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.017 -1.052 . . . . 0.0 108.707 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.26 86.48 4.94 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -70.06 -28.68 65.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 0.0 110.16 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.36 -40.12 93.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.891 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.09 78.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.42 -41.6 98.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 109.616 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -66.54 -40.11 88.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.149 -0.97 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.78 -39.81 76.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.437 -0.79 . . . . 0.0 109.468 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.96 -41.29 91.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.361 -0.837 . . . . 0.0 109.45 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -99.78 -4.09 31.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.333 -0.855 . . . . 0.0 108.759 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 53.38 50.11 18.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.594 -0.691 . . . . 0.0 110.598 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.5 mt -116.08 147.05 38.47 Favored Pre-proline 0 N--CA 1.502 2.173 0 O-C-N 121.36 -0.837 . . . . 0.0 108.844 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.97 156.19 0.5 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.247 1.298 . . . . 0.0 110.931 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.42 -18.77 47.94 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.893 1.729 . . . . 0.0 110.779 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 HD11 ' B' ' 5' ' ' ILE . 95.1 t -59.98 -50.22 80.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 110.469 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.97 -49.94 79.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.771 -1.205 . . . . 0.0 108.739 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.87 82.49 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.448 -0.782 . . . . 0.0 109.683 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.64 -40.05 90.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.337 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -59.95 -44.48 94.37 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 109.744 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.71 -46.62 96.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.215 -0.928 . . . . 0.0 108.862 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.3 t -65.62 -40.01 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.185 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -69.84 -34.46 73.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.443 -0.786 . . . . 0.0 110.235 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.9 m -78.34 -26.16 46.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.061 -1.024 . . . . 0.0 109.852 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.46 116.9 12.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.98 -40.04 87.78 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.456 -0.778 . . . . 0.0 110.749 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.03 -39.14 84.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.094 -1.004 . . . . 0.0 109.208 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.35 -28.38 56.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.78 -76.96 0.11 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 110.553 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.47 118.35 15.27 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.178 -0.952 . . . . 0.0 109.081 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -89.98 -78.74 0.36 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.103 -0.998 . . . . 0.0 109.456 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.39 -171.86 36.71 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -79.08 -9.68 59.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -1.081 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 58.97 30.78 20.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 108.501 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.77 153.18 43.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.595 -0.691 . . . . 0.0 109.64 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -56.39 -34.62 66.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.884 . . . . 0.0 109.456 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.96 -116.19 4.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -61.38 128.68 37.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 0.0 109.036 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.69 -8.03 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.339 -0.851 . . . . 0.0 108.927 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 C--N 1.298 -1.644 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.453 -179.885 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.2 m-85 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.4 0.619 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.63 -40.17 90.96 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.387 -0.821 . . . . 0.0 110.795 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -64.09 -52.97 56.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 110.624 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -34.76 84.39 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.892 -1.683 . . . . 0.0 108.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 9' ' ' GLN . 58.1 mt -68.05 -39.96 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.652 -0.911 . . . . 0.0 109.973 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.01 -46.72 88.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 109.581 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.0 -40.17 78.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.015 -1.053 . . . . 0.0 108.784 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.38 77.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.605 -0.685 . . . . 0.0 109.734 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.0 tt0 -60.73 137.01 58.23 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 109.327 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.91 -169.69 0.91 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 108.838 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 13' ' ' GLU . 44.5 tt0 -63.65 150.0 45.25 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.529 -0.732 . . . . 0.0 109.856 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 67.1 t60 -65.05 77.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.728 . . . . 0.0 109.601 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.9 mm-40 -88.57 -166.29 1.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.61 64.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.469 -0.77 . . . . 0.0 109.256 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -58.9 -34.16 71.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.8 p -63.52 -41.75 98.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.062 -1.024 . . . . 0.0 108.82 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.38 86.4 4.87 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -69.97 -28.74 65.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.41 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.89 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.04 79.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.221 -0.925 . . . . 0.0 109.726 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.53 -40.0 88.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.121 -0.987 . . . . 0.0 109.321 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.99 -39.88 75.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.38 -0.825 . . . . 0.0 109.486 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -99.74 -4.08 31.44 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.5 m-20 53.38 49.85 18.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -115.79 146.98 38.06 Favored Pre-proline 0 N--CA 1.502 2.174 0 O-C-N 121.385 -0.822 . . . . 0.0 108.934 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -45.87 156.0 0.5 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.375 1.383 . . . . 0.0 110.909 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.35 -18.88 47.97 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 121.915 1.744 . . . . 0.0 110.847 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 94.1 t -59.97 -50.33 80.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.482 -0.761 . . . . 0.0 110.486 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.7 -50.03 79.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.724 -1.235 . . . . 0.0 108.687 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.96 82.29 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.73 -39.91 90.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 0.0 109.224 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.01 -44.47 94.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.6 -46.58 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.117 -0.989 . . . . 0.0 108.969 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.194 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -69.92 -34.3 73.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.276 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -78.4 -26.25 46.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.077 -1.014 . . . . 0.0 109.871 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.48 116.97 12.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 108.422 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.03 -40.08 88.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.445 -0.784 . . . . 0.0 110.931 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -59.99 -39.05 84.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -76.34 -28.7 56.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 0.0 109.483 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.33 -77.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.676 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -72.53 118.36 15.34 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.172 -0.955 . . . . 0.0 109.045 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.04 -78.56 0.36 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.183 -0.948 . . . . 0.0 109.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.52 -171.75 36.86 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -79.11 -9.85 59.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -1.078 . . . . 0.0 109.61 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 59.07 30.84 20.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.094 -1.004 . . . . 0.0 108.499 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.92 153.14 44.28 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.667 -0.646 . . . . 0.0 109.597 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.445 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 0.5 OUTLIER -56.3 -34.44 66.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -0.838 . . . . 0.0 109.578 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.17 4.2 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -61.32 128.64 37.34 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.208 -1.172 . . . . 0.0 109.023 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.57 -8.1 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.26 -0.9 . . . . 0.0 108.933 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--N 1.299 -1.616 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.531 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.216 0.531 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 90.4 mt -64.79 -40.8 95.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.975 . . . . 0.0 110.63 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.54 -40.35 92.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.928 -1.108 . . . . 0.0 109.986 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.48 -36.83 93.06 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.49 -40.13 83.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.417 -1.049 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.85 84.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.981 -1.075 . . . . 0.0 110.343 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.3 -40.18 77.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.086 . . . . 0.0 109.443 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.45 74.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.492 -0.755 . . . . 0.0 109.441 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.7 138.36 58.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.372 -0.83 . . . . 0.0 109.432 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 40.9 tt0 -169.98 164.33 9.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 108.836 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' GLU . 85.2 mt-10 -40.22 160.19 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.45 -0.781 . . . . 0.0 110.75 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 74.6 t60 -74.4 72.47 1.84 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.85 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -84.88 -172.59 4.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.565 -0.709 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -67.77 -28.28 67.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -57.69 -32.06 66.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.0 109.121 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -60.06 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 109.386 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -60.39 -40.71 91.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.921 -1.112 . . . . 0.0 109.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -99.75 92.38 5.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.346 -0.846 . . . . 0.0 109.634 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -73.46 -27.78 61.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.002 . . . . 0.0 109.988 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.04 -41.03 91.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.057 -1.027 . . . . 0.0 110.004 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.87 94.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.998 . . . . 0.0 109.132 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.59 -40.52 95.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.846 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.57 96.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.846 -1.158 . . . . 0.0 109.546 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -68.29 -40.09 81.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.11 -40.47 89.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 110.372 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -101.27 0.05 36.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.186 -0.946 . . . . 0.0 109.857 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 54.51 39.97 31.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.344 -0.848 . . . . 0.0 110.359 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.6 mt -106.89 150.74 40.13 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.6 Cg_endo -69.24 149.3 70.06 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 121.35 1.367 . . . . 0.0 111.308 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.27 -23.28 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.176 1.918 . . . . 0.0 112.423 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 92.4 t -57.11 -57.16 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.68 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.79 -44.37 98.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.081 -1.012 . . . . 0.0 109.047 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.61 -48.62 80.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.299 -0.876 . . . . 0.0 109.761 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.87 -39.97 93.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 110.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.27 -40.09 92.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.939 -1.1 . . . . 0.0 109.526 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.93 -40.0 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.8 -40.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.93 68.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -72.02 -38.13 69.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.75 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.66 113.27 11.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 108.925 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.71 -40.03 90.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.267 -0.895 . . . . 0.0 110.695 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -60.97 -39.99 91.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.287 -0.883 . . . . 0.0 110.685 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.53 -33.42 60.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.95 -1.094 . . . . 0.0 110.091 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -79.24 -70.14 0.53 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.49 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -72.24 134.21 45.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.832 . . . . 0.0 109.843 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -92.04 -155.75 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 154.03 14.61 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.77 139.89 56.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.099 -1.236 . . . . 0.0 109.644 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 1.029 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -84.41 130.41 34.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.298 -0.876 . . . . 0.0 109.169 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -137.31 29.15 2.74 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.338 -0.851 . . . . 0.0 110.121 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.668 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 40.8 t-80 49.76 -174.91 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.174 -0.954 . . . . 0.0 109.975 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -77.64 151.77 38.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -93.94 135.95 34.74 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.44 -1.035 . . . . 0.0 109.692 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 54' ' ' VAL . 4.7 m -99.7 138.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.361 -0.837 . . . . 0.0 109.463 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.421 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.221 0.534 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . 0.448 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 90.4 mt -64.62 -40.8 96.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.921 . . . . 0.0 110.712 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.49 -40.22 92.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.899 -1.126 . . . . 0.0 110.031 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -36.92 92.99 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.26 -40.22 84.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.402 -1.058 . . . . 0.0 110.183 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.8 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.082 . . . . 0.0 110.307 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.43 -40.18 77.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.961 -1.087 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.5 74.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.479 -0.763 . . . . 0.0 109.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.58 138.43 58.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 109.437 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -170.0 164.47 9.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.419 -0.801 . . . . 0.0 108.908 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -40.33 160.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -74.28 72.2 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.468 -0.77 . . . . 0.0 109.85 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -84.59 -172.58 4.25 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.486 -0.759 . . . . 0.0 109.704 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -67.79 -28.3 67.48 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -57.69 -32.05 66.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.126 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.98 -40.19 88.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.998 -1.064 . . . . 0.0 109.336 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -60.25 -40.75 91.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.937 -1.102 . . . . 0.0 109.165 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -99.9 92.45 5.29 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.391 -0.818 . . . . 0.0 109.514 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -73.5 -27.62 61.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.059 -1.025 . . . . 0.0 110.02 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.07 . . . . 0.0 110.061 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.96 94.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.019 -1.051 . . . . 0.0 109.171 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.53 -40.58 95.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.731 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.879 -1.138 . . . . 0.0 109.587 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -68.41 -40.06 81.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.417 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.18 -40.35 89.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.437 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -101.43 0.27 36.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.269 -0.895 . . . . 0.0 109.77 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.43 40.02 31.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.438 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -107.0 150.79 40.25 Favored Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.0 Cg_endo -69.31 149.31 69.58 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 121.339 1.36 . . . . 0.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.2 -23.41 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.164 1.91 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 94.8 t -57.06 -57.16 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.962 . . . . 0.0 110.741 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.78 -44.44 98.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.087 -1.008 . . . . 0.0 109.077 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.52 80.53 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 0.0 109.785 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.9 -40.02 93.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 110.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.17 -40.13 92.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.042 -1.036 . . . . 0.0 109.586 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.99 -39.93 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.77 -40.0 87.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.09 68.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.593 -0.692 . . . . 0.0 109.684 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -71.81 -38.17 70.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.833 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -74.66 113.19 11.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.67 -40.09 90.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.215 -0.928 . . . . 0.0 110.599 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.95 -40.0 91.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 110.675 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -75.56 -33.5 60.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 110.007 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.05 -70.24 0.52 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.195 -0.94 . . . . 0.0 110.48 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt -72.2 134.16 45.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -0.823 . . . . 0.0 109.942 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -91.97 -155.63 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.318 -0.864 . . . . 0.0 108.878 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.98 154.22 14.71 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.838 -1.705 . . . . 0.0 108.838 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.96 139.84 56.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.109 -1.23 . . . . 0.0 109.651 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 1.029 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -84.36 130.34 34.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.257 -0.902 . . . . 0.0 109.157 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -137.15 29.12 2.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.358 -0.839 . . . . 0.0 110.171 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.662 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 41.0 t-80 49.67 -174.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.662 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . -77.54 151.47 38.0 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -93.62 136.5 33.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.334 -1.098 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m -100.18 138.7 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.478 -0.764 . . . . 0.0 109.313 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.498 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.493 0.664 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.54 -39.98 93.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.542 -0.724 . . . . 0.0 110.437 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.42 -40.76 93.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.023 -1.048 . . . . 0.0 110.224 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.96 96.07 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.31 -40.11 85.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.691 -0.888 . . . . 0.0 110.331 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.02 -42.19 93.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.33 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.68 -40.0 76.64 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.89 -1.132 . . . . 0.0 108.661 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.66 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.369 0.604 . . . . 0.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.98 136.11 57.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 0.0 109.971 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -158.66 -151.27 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -80.93 157.94 25.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.111 -0.993 . . . . 0.0 109.704 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -78.29 72.88 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 108.884 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.34 -149.41 0.37 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.478 -0.764 . . . . 0.0 109.848 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.98 -32.77 71.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.456 -0.778 . . . . 0.0 109.838 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -60.07 -39.53 86.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.789 -1.195 . . . . 0.0 109.212 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -60.53 -42.79 97.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.856 -1.153 . . . . 0.0 109.192 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -96.11 88.59 4.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.153 -0.967 . . . . 0.0 109.4 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -69.95 -28.84 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.962 -1.086 . . . . 0.0 109.416 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.5 -40.36 91.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.98 . . . . 0.0 109.547 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.54 -43.84 96.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.386 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.67 98.9 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.34 -0.85 . . . . 0.0 109.198 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -40.1 80.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 109.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.88 -40.28 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.357 -0.839 . . . . 0.0 110.491 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.45 -0.63 34.92 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 56.36 41.44 29.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.534 -0.729 . . . . 0.0 110.049 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -113.27 151.04 43.98 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.1 Cg_endo -69.67 150.11 68.3 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.605 1.536 . . . . 0.0 111.841 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.25 -21.15 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.404 2.069 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -60.03 -50.01 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 111.157 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.51 -40.44 79.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.783 -1.198 . . . . 0.0 109.781 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.921 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -61.23 -38.79 87.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.098 -1.001 . . . . 0.0 110.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 109.681 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.88 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.864 -1.148 . . . . 0.0 108.516 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.33 -40.06 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . -69.55 -37.71 77.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 109.464 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -72.0 -39.58 69.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.214 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.3 t -75.71 106.72 7.43 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -59.92 -39.73 86.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.482 -0.761 . . . . 0.0 110.463 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -59.94 -40.05 87.66 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.26 -0.9 . . . . 0.0 109.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.5 m -75.03 -36.94 61.87 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.768 -1.207 . . . . 0.0 109.812 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 38' ' ' ALA . 7.3 tt0 -75.79 -75.85 0.17 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 0.0 110.576 -178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.0 139.63 50.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 0.0 109.501 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -94.04 -19.02 21.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.72 -11.17 62.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -84.54 -11.64 55.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -1.12 . . . . 0.0 109.535 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -64.38 -11.95 37.87 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.162 -0.961 . . . . 0.0 110.357 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.427 ' O ' ' O ' ' B' ' 50' ' ' MET . 68.0 mtt -60.2 -111.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.102 -0.999 . . . . 0.0 110.579 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.55 130.69 34.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.3 -79.11 1.15 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -152.34 117.75 5.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -1.135 . . . . 0.0 108.765 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.0 m -105.02 135.86 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.37 -0.831 . . . . 0.0 109.704 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.434 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.586 0.708 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.73 -40.05 93.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.43 -0.794 . . . . 0.0 110.415 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.4 -40.97 94.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.254 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.35 -39.24 95.88 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -39.98 85.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.662 -0.905 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -59.99 -42.25 93.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.036 -1.04 . . . . 0.0 110.324 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 -40.0 76.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.843 -1.16 . . . . 0.0 108.647 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.79 75.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 110.289 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.86 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.328 -0.857 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -158.97 -151.06 0.26 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -80.88 158.24 25.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.022 -1.049 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -78.59 72.6 5.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 108.883 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -100.29 -149.4 0.37 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.462 -0.774 . . . . 0.0 109.866 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -70.05 -32.74 70.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.428 -0.795 . . . . 0.0 109.823 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -60.03 -39.76 87.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -60.0 -40.04 87.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.823 -1.173 . . . . 0.0 109.209 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.28 -42.68 95.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.841 -1.162 . . . . 0.0 109.199 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -96.31 88.77 4.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.128 -0.983 . . . . 0.0 109.282 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -70.06 -28.58 65.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.956 -1.09 . . . . 0.0 109.393 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -60.77 -40.19 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.98 94.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -60.55 -43.9 96.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.442 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.75 98.85 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 109.247 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.67 -39.94 80.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.01 -40.6 94.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.538 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.01 -0.78 35.85 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.341 -0.85 . . . . 0.0 110.184 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 56.48 41.45 28.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.955 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.24 150.9 43.77 Favored Pre-proline 0 N--CA 1.501 2.09 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.0 Cg_endo -69.6 150.23 68.9 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.657 1.571 . . . . 0.0 111.819 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -41.35 -21.06 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.279 1.986 . . . . 0.0 112.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.01 -50.03 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 111.207 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.48 -40.71 80.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 120.824 -1.172 . . . . 0.0 109.675 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.02 89.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -61.25 -38.62 87.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.085 -1.009 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -60.06 -41.51 92.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.892 -1.13 . . . . 0.0 109.576 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.83 -40.07 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.27 -39.96 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.487 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.62 -37.89 77.0 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.669 -0.645 . . . . 0.0 109.513 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -71.78 -39.66 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.194 -0.941 . . . . 0.0 109.252 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -75.69 106.84 7.47 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -60.05 -39.78 87.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.542 -0.724 . . . . 0.0 110.422 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 109.781 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.0 m -74.99 -37.06 61.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.778 -1.201 . . . . 0.0 109.819 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 -75.66 -75.95 0.17 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.595 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.2 mt -71.02 139.73 50.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 109.471 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -94.13 -18.99 21.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 109.288 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.51 -11.23 61.93 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -84.28 -11.47 56.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -1.136 . . . . 0.0 109.499 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -64.46 -12.0 39.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.938 . . . . 0.0 110.279 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' MET . 68.0 mtt -60.22 -111.26 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.063 -1.023 . . . . 0.0 110.706 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.59 131.17 34.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.946 . . . . 0.0 109.864 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.73 -79.47 1.16 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -152.06 117.87 5.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -1.114 . . . . 0.0 108.789 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -105.1 136.08 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.362 -0.836 . . . . 0.0 109.694 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.437 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.597 0.713 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.44 -42.32 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.965 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 1.1 p30 -60.82 -47.77 84.86 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.179 -0.95 . . . . 0.0 110.573 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.99 -39.44 94.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.0 -39.82 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.713 -0.875 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 35.7 t0 -60.27 -48.11 83.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.278 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.12 -40.02 82.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.357 -0.839 . . . . 0.0 109.072 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.27 67.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.536 -0.727 . . . . 0.0 110.073 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.11 140.04 57.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.117 -0.99 . . . . 0.0 109.098 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -168.53 160.22 10.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 108.995 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -46.28 162.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.96 . . . . 0.0 109.898 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -74.95 79.6 2.17 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.729 . . . . 0.0 109.625 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.33 -160.17 0.78 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.566 -0.709 . . . . 0.0 109.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.86 -27.91 65.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 109.495 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.92 -38.43 82.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 109.394 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -60.23 -39.81 88.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.727 -1.233 . . . . 0.0 109.066 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -63.82 -41.09 97.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.822 -1.174 . . . . 0.0 109.171 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -96.06 83.31 3.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.003 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -70.13 -27.96 64.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.183 -0.948 . . . . 0.0 109.877 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.47 -40.58 91.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.996 -1.065 . . . . 0.0 109.813 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.37 97.02 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.147 -0.971 . . . . 0.0 109.819 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.9 ttp -60.91 -41.3 95.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.0 109.74 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.48 95.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.349 -0.844 . . . . 0.0 109.721 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -67.98 -39.81 83.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.868 . . . . 0.0 110.362 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.73 -39.76 89.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.897 . . . . 0.0 109.892 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -100.71 2.35 41.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.636 -0.665 . . . . 0.0 109.615 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 51.75 46.19 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.76 150.37 43.26 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' VAL . 44.1 Cg_endo -69.3 149.74 70.18 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.631 1.554 . . . . 0.0 111.218 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.86 -17.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.065 1.844 . . . . 0.0 112.602 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.6 t -60.29 -50.42 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.896 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.5 -42.52 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 120.824 -1.172 . . . . 0.0 109.079 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.93 95.51 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.616 -0.677 . . . . 0.0 109.647 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.55 -40.57 97.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.33 -40.35 93.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.982 -1.074 . . . . 0.0 109.219 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.43 -41.03 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 108.257 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.36 -40.26 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.476 -0.765 . . . . 0.0 109.076 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.51 68.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.391 -0.818 . . . . 0.0 109.744 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.3 m -72.96 -39.95 65.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 t -75.52 116.06 15.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.999 -1.063 . . . . 0.0 109.174 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -60.59 -40.12 90.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.142 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -60.66 -41.0 94.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 110.286 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 m -77.86 -28.66 50.1 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.148 -0.97 . . . . 0.0 109.976 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.87 -71.85 0.38 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.215 -0.928 . . . . 0.0 110.574 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.17 139.77 52.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.938 -1.101 . . . . 0.0 109.124 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -86.43 -17.38 34.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.452 -0.78 . . . . 0.0 109.856 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.03 -169.04 24.81 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.662 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 43.4 tt0 -78.86 -10.6 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.495 -1.003 . . . . 0.0 109.359 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 78.5 80.92 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.518 ' HG2' ' H ' ' A' ' 52' ' ' GLY . 55.0 ttp -156.61 115.64 3.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.153 -0.967 . . . . 0.0 110.005 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 52' ' ' GLY . 0.7 OUTLIER -88.29 13.46 11.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.507 -0.746 . . . . 0.0 109.627 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' H ' ' HG2' ' A' ' 50' ' ' MET . . . -43.86 -95.82 0.01 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 59.59 18.99 7.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -1.205 . . . . 0.0 108.454 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.03 143.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.481 -0.762 . . . . 0.0 109.748 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.604 -179.7 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.521 0.677 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.6 -42.3 96.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.066 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 1.2 p30 -60.61 -48.76 80.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 110.537 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.57 -39.14 92.83 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 74.0 mt -66.18 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.583 -0.951 . . . . 0.0 110.156 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -60.65 -46.56 89.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.21 -0.931 . . . . 0.0 109.346 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.91 -40.28 79.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.01 67.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.744 -0.597 . . . . 0.0 110.155 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.0 tt0 -60.04 138.82 57.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 109.149 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -167.47 160.9 13.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.482 -0.761 . . . . 0.0 109.19 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -46.81 162.09 0.05 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.273 -0.892 . . . . 0.0 109.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.75 78.32 2.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.478 -0.764 . . . . 0.0 109.869 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.45 -160.52 0.8 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.458 -0.776 . . . . 0.0 110.079 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -69.48 -27.9 65.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.19 -38.23 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.359 -0.838 . . . . 0.0 109.333 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -59.95 -39.92 87.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.867 -1.145 . . . . 0.0 109.024 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -64.55 -40.59 95.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.976 -1.077 . . . . 0.0 109.061 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -96.33 83.33 3.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -70.0 -28.66 65.69 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.96 . . . . 0.0 109.83 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.59 -40.2 90.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.174 -0.954 . . . . 0.0 109.764 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.06 97.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.769 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.2 ttp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 109.821 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.86 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.42 -0.8 . . . . 0.0 109.903 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -68.15 -40.19 82.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.409 -0.807 . . . . 0.0 110.254 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -60.85 -40.05 91.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -99.65 1.78 43.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.389 -0.819 . . . . 0.0 109.401 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 52.64 46.92 25.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -114.85 149.92 43.23 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.6 Cg_endo -68.71 149.61 73.53 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.589 1.526 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.15 -17.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.963 1.775 . . . . 0.0 112.476 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.1 t -60.23 -50.24 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.866 -1.146 . . . . 0.0 110.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.83 -42.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.004 -1.06 . . . . 0.0 108.798 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.69 92.84 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.57 -0.706 . . . . 0.0 109.715 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.66 -39.97 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.989 -1.069 . . . . 0.0 109.822 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.7 tm-20 -61.2 -40.52 94.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.884 -1.135 . . . . 0.0 109.128 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.52 -40.8 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.985 -1.072 . . . . 0.0 108.463 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.42 -39.9 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.449 -0.782 . . . . 0.0 109.208 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.6 -30.47 68.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.445 -0.785 . . . . 0.0 109.713 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.412 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 59.9 m -72.37 -39.97 67.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 0.0 110.195 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.8 t -76.25 115.6 16.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.061 -1.025 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.22 -40.36 89.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -0.787 . . . . 0.0 110.476 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.3 -40.58 91.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.9 m -78.63 -29.06 45.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.041 -1.037 . . . . 0.0 110.061 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -76.01 -71.81 0.36 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.346 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.87 138.67 52.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.134 -0.979 . . . . 0.0 109.221 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -85.55 -15.24 43.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 109.802 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.17 -170.74 31.48 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.663 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 43.3 tt0 -75.91 -12.3 60.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.511 -0.993 . . . . 0.0 109.763 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 79.04 81.28 0.06 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.485 ' HG2' ' H ' ' B' ' 52' ' ' GLY . 56.4 ttp -156.64 116.58 3.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.971 -1.081 . . . . 0.0 110.128 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.429 ' O ' ' O ' ' B' ' 52' ' ' GLY . 0.8 OUTLIER -88.41 13.45 11.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.485 ' H ' ' HG2' ' B' ' 50' ' ' MET . . . -44.48 -96.41 0.01 OUTLIER Glycine 0 N--CA 1.493 2.436 0 O-C-N 121.099 -1.0 . . . . 0.0 110.801 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 60.06 19.4 8.58 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.343 -1.092 . . . . 0.0 108.137 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -102.64 143.3 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.496 -0.753 . . . . 0.0 109.919 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.5 -179.753 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.566 0.698 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.77 -40.42 92.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.614 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.24 -51.45 60.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.269 -0.895 . . . . 0.0 110.732 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.98 67.49 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.681 -1.767 . . . . 0.0 108.681 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -69.33 -40.3 79.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.536 -0.979 . . . . 0.0 109.423 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.97 -48.63 80.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.95 . . . . 0.0 109.898 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -66.8 -40.75 88.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.025 -1.047 . . . . 0.0 108.964 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.69 73.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.221 -0.924 . . . . 0.0 109.791 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -62.96 125.23 23.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 110.159 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -151.47 -165.39 2.23 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' GLU . 74.4 mm-40 -74.41 157.8 35.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 78.4 t60 -65.04 69.78 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.987 -1.071 . . . . 0.0 110.018 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 11' ' ' GLU . 22.3 tt0 -79.82 -179.92 7.2 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' H ' ' CG ' ' A' ' 13' ' ' GLU . 62.6 mttm -64.17 -26.21 68.42 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.051 -1.031 . . . . 0.0 109.325 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -59.92 -29.86 68.66 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.879 -1.138 . . . . 0.0 109.192 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.83 -37.48 79.31 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.1 p -59.75 -46.61 88.62 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.984 -1.073 . . . . 0.0 108.502 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -94.05 87.55 5.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 108.776 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -69.77 -26.2 64.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.109 -0.994 . . . . 0.0 109.519 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.47 -40.26 90.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 109.868 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.99 92.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.5 ttm -60.49 -45.09 95.06 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.174 -0.954 . . . . 0.0 109.151 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.23 -42.44 99.23 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.398 -0.814 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.3 t -68.47 -40.32 81.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.131 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.56 -40.05 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.424 -0.798 . . . . 0.0 110.133 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -101.84 3.05 38.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.454 -0.778 . . . . 0.0 109.706 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m120 55.37 42.68 29.9 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.299 -0.876 . . . . 0.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 73.8 mt -112.77 150.36 42.64 Favored Pre-proline 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -68.93 147.74 68.85 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.771 1.648 . . . . 0.0 111.801 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 -20.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 122.362 2.041 . . . . 0.0 112.315 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -59.76 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.451 -0.78 . . . . 0.0 110.695 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.86 -42.55 85.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.0 92.91 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.785 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.27 -39.95 92.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.58 -44.0 96.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.088 -1.007 . . . . 0.0 109.571 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.34 -40.17 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.63 -39.91 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.89 94.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.639 -0.663 . . . . 0.0 110.293 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -71.65 -38.89 70.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.03 -1.044 . . . . 0.0 109.571 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -75.67 102.87 5.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.985 -1.072 . . . . 0.0 108.642 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -60.81 -39.29 88.41 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.84 -0.538 . . . . 0.0 110.595 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.213 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.72 -61.51 1.81 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 110.826 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -73.62 -58.98 2.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 111.47 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.14 137.07 44.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.039 -1.038 . . . . 0.0 110.2 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -88.86 150.46 22.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.0 -82.99 0.02 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 121.351 -0.843 . . . . 0.0 111.003 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.0 118.94 18.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.221 -1.164 . . . . 0.0 109.085 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' MET . . . -99.98 100.41 11.3 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.399 -0.813 . . . . 0.0 111.066 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' ALA . 20.8 ttt 39.8 52.22 2.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 178.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' B' ' 51' ' ' HIS . 54.0 t-80 -60.0 -39.84 87.16 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.88 -1.137 . . . . 0.0 108.974 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.28 159.61 9.95 Favored Glycine 0 N--CA 1.501 2.981 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -97.42 8.84 43.82 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.48 -1.011 . . . . 0.0 109.405 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 54' ' ' VAL . 23.1 m -99.81 129.0 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.572 -0.705 . . . . 0.0 109.343 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.409 -179.421 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.559 0.695 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -40.07 94.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.09 -51.12 63.26 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.51 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.66 73.51 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 108.521 -1.831 . . . . 0.0 108.521 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.2 mt -69.03 -40.09 80.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 O-C-N 121.696 -0.885 . . . . 0.0 109.735 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -49.28 78.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.122 -0.986 . . . . 0.0 109.452 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -65.89 -41.6 91.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.882 . . . . 0.0 109.015 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -35.7 73.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.749 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 64.0 tt0 -63.54 126.07 26.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.052 -1.03 . . . . 0.0 109.591 -178.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -152.04 -166.5 2.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.466 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 13' ' ' GLU . 73.2 mm-40 -73.1 156.77 38.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.853 . . . . 0.0 109.008 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.4 t60 -64.94 70.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.708 -1.245 . . . . 0.0 109.96 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' B' ' 11' ' ' GLU . 19.7 tt0 -80.05 -179.47 7.04 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' B' ' 13' ' ' GLU . 60.7 mttm -64.55 -26.15 68.29 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.954 . . . . 0.0 109.307 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.16 -29.2 68.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.038 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.807 -1.183 . . . . 0.0 108.439 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -59.46 -47.3 86.03 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.946 -1.096 . . . . 0.0 108.725 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -93.84 88.06 5.63 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.048 -1.033 . . . . 0.0 108.823 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -70.0 -25.76 63.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 109.427 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.84 -39.81 90.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.91 91.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.986 -1.071 . . . . 0.0 109.097 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.39 -45.72 92.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 108.953 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.619 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -68.44 -40.42 81.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.495 -0.753 . . . . 0.0 110.353 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.92 -39.93 91.27 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.357 -0.839 . . . . 0.0 110.246 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -101.76 3.65 39.72 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.498 -0.752 . . . . 0.0 109.745 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m120 54.72 43.0 30.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 73.3 mt -113.13 150.36 42.84 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.87 148.17 63.78 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.371 1.381 . . . . 0.0 111.679 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -39.82 -20.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.374 2.049 . . . . 0.0 112.296 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.3 t -59.58 -50.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.165 -0.96 . . . . 0.0 110.807 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.77 -42.8 86.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.939 -1.101 . . . . 0.0 109.285 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.35 94.18 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.118 -0.989 . . . . 0.0 109.649 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.09 -39.81 91.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.98 -1.075 . . . . 0.0 110.135 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.67 -43.59 97.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.005 -1.059 . . . . 0.0 109.936 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.777 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.26 -39.89 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.72 93.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.667 -0.646 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -71.15 -39.57 71.86 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.667 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.7 103.05 5.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.096 -1.002 . . . . 0.0 108.452 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.825 -0.547 . . . . 0.0 110.668 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -58.74 -34.97 71.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.906 -1.121 . . . . 0.0 109.154 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.82 -61.9 1.68 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.17 -0.956 . . . . 0.0 110.92 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -74.17 -58.01 3.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.089 -1.007 . . . . 0.0 111.678 -177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.0 136.03 45.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.904 -1.122 . . . . 0.0 110.377 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -88.43 149.12 23.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.29 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 -84.46 0.01 OUTLIER Glycine 0 N--CA 1.498 2.799 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.31 119.59 18.71 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.303 -1.116 . . . . 0.0 109.328 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' B' ' 50' ' ' MET . . . -100.06 101.21 12.22 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.151 -0.968 . . . . 0.0 110.968 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.414 ' C ' ' O ' ' B' ' 49' ' ' ALA . 21.4 ttt 39.57 51.92 2.32 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.211 -0.931 . . . . 0.0 111.259 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 51' ' ' HIS . 53.5 t-80 -60.01 -40.37 89.01 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.937 -1.102 . . . . 0.0 109.07 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 157.97 9.1 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -96.68 9.59 41.18 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.432 -1.04 . . . . 0.0 109.449 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' O ' HG23 ' B' ' 54' ' ' VAL . 27.8 m -100.48 129.51 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 CA-C-O 121.638 0.732 . . . . 0.0 109.595 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.893 -1.051 . . . . 0.0 109.227 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.08 -39.47 86.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 110.379 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.79 -42.21 99.6 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.506 -0.746 . . . . 0.0 110.713 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.78 96.64 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.95 -40.57 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.888 . . . . 0.0 110.593 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.24 -47.65 85.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 0.0 109.712 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -68.62 -40.1 80.5 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.239 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.44 82.17 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.588 -0.695 . . . . 0.0 110.653 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -64.65 136.27 56.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.989 -1.069 . . . . 0.0 109.991 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -162.11 -173.81 3.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.58 149.71 38.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -67.55 81.96 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.019 0.914 . . . . 0.0 108.799 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -97.06 -162.63 0.97 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.706 . . . . 0.0 109.217 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -68.11 -30.07 69.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.942 -1.099 . . . . 0.0 108.712 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -59.77 -35.16 74.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.597 -0.689 . . . . 0.0 110.029 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -60.57 -40.39 91.48 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.109 -0.994 . . . . 0.0 109.023 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -97.85 90.18 4.85 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -69.71 -28.64 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.707 -1.246 . . . . 0.0 109.026 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.18 -40.22 93.11 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.505 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.92 99.11 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.57 -1.331 . . . . 0.0 109.664 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.14 -40.23 95.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.847 -1.158 . . . . 0.0 109.623 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.25 98.35 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.184 -0.948 . . . . 0.0 109.404 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.03 -39.75 75.57 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.701 -0.625 . . . . 0.0 110.208 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -61.49 -39.85 92.45 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.12 -0.987 . . . . 0.0 109.66 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -99.6 1.31 43.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.538 -0.726 . . . . 0.0 109.69 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 52.64 48.89 21.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.621 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.1 mt -117.85 150.2 46.69 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.8 Cg_endo -70.14 149.07 63.95 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.544 1.496 . . . . 0.0 111.117 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -41.87 -21.04 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.045 1.83 . . . . 0.0 113.016 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.6 t -59.63 -50.61 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.543 -1.348 . . . . 0.0 110.363 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.06 -40.99 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.039 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.65 98.0 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.974 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -61.91 -39.87 93.49 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.121 -0.987 . . . . 0.0 109.891 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.88 -40.53 89.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.857 -1.152 . . . . 0.0 110.009 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.91 -40.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.46 -39.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.55 79.32 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.45 -0.781 . . . . 0.0 108.945 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 m -72.5 -40.1 67.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.066 -1.021 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 t -74.12 111.56 9.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.385 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.62 -40.13 93.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.076 -1.015 . . . . 0.0 110.251 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -59.62 -39.8 85.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.395 -0.815 . . . . 0.0 109.753 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -75.75 -33.5 60.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.008 -1.057 . . . . 0.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -75.07 -78.16 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.678 -1.264 . . . . 0.0 110.68 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.17 121.67 18.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.686 -1.259 . . . . 0.0 108.341 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -90.1 -79.9 0.33 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.997 -1.064 . . . . 0.0 109.961 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.21 148.6 26.94 Favored Glycine 0 N--CA 1.498 2.794 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -79.86 155.36 27.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.002 -1.293 . . . . 0.0 109.431 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.31 141.08 15.73 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.058 -1.026 . . . . 0.0 110.142 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' B' ' 50' ' ' MET . 67.0 mtt -82.88 132.87 35.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.485 -0.76 . . . . 0.0 109.783 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -157.03 159.43 37.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.419 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.45 12.47 84.27 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.13 133.63 36.74 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.95 -1.323 . . . . 0.0 110.233 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 t -141.71 23.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.0 t0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.605 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.32 -39.93 92.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.557 -0.715 . . . . 0.0 110.175 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.71 -44.25 96.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.549 -0.72 . . . . 0.0 110.109 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.76 97.54 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.85 -39.57 85.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.428 -1.042 . . . . 0.0 110.523 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.72 -49.92 75.87 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.258 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.19 -39.93 86.46 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.082 -1.011 . . . . 0.0 109.138 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.26 80.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -64.91 136.6 57.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.657 -1.277 . . . . 0.0 109.451 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -161.99 -172.97 3.46 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 35.7 tt0 -63.44 148.09 49.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.27 -0.894 . . . . 0.0 109.194 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -65.38 79.4 0.06 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.294 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 68.2 mt-10 -94.39 -161.66 0.87 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.575 -0.703 . . . . 0.0 109.126 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -68.82 -30.03 68.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.51 -0.744 . . . . 0.0 109.439 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -59.77 -35.18 74.09 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.426 -0.796 . . . . 0.0 109.764 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -60.16 -40.45 89.93 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.084 -1.01 . . . . 0.0 109.026 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -61.16 -40.88 95.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.451 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -97.74 88.84 4.42 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -69.51 -28.5 66.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.71 -39.75 89.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.712 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.3 98.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.863 -1.148 . . . . 0.0 109.684 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.3 ttp -64.32 -40.88 96.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.578 0.704 . . . . 0.0 109.36 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.0 -41.21 97.81 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.086 -1.009 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -68.55 -39.85 80.9 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.395 -0.816 . . . . 0.0 109.79 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.89 -40.03 94.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.688 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -99.69 0.52 42.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.462 -0.774 . . . . 0.0 109.501 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 23' ' ' ALA . 99.2 m-20 53.41 46.74 25.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.597 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -116.56 151.6 47.26 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.7 Cg_endo -71.24 149.38 57.41 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 121.165 1.244 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -41.91 -19.95 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 121.902 1.735 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.4 t -59.86 -50.61 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.598 -1.314 . . . . 0.0 110.71 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.44 -41.14 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 119.329 -0.948 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.68 98.11 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.506 -0.746 . . . . 0.0 110.147 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -61.37 -40.24 93.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.951 -1.093 . . . . 0.0 109.686 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.21 -41.03 92.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.761 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.62 -40.26 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.578 -1.327 . . . . 0.0 107.999 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.79 -39.89 87.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.66 -38.89 84.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.694 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -70.04 -39.92 75.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.033 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.52 109.91 7.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.966 -1.084 . . . . 0.0 109.094 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -60.41 -40.32 90.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 110.465 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.14 -37.59 80.55 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.03 -34.81 43.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.215 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 -73.48 -77.35 0.11 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.772 -1.205 . . . . 0.0 110.002 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 121.79 19.04 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.915 -1.116 . . . . 0.0 108.797 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -90.51 -79.26 0.36 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.002 -1.061 . . . . 0.0 110.089 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.62 150.94 30.27 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -81.9 154.96 25.55 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.252 . . . . 0.0 109.064 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 140.31 15.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' MET . 67.4 mtt -83.01 132.48 35.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.755 . . . . 0.0 110.182 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -157.91 160.42 37.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.34 16.33 80.8 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -83.6 133.08 34.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.021 -1.282 . . . . 0.0 110.386 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -142.26 21.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.164 179.681 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.05 -40.34 76.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.646 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.43 -44.03 97.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.094 -1.004 . . . . 0.0 109.114 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.38 91.47 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 64.8 mt -65.44 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.52 -0.988 . . . . 0.0 109.61 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.01 -42.22 93.84 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.066 -1.022 . . . . 0.0 109.113 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.99 -41.58 74.21 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.95 67.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.523 -0.736 . . . . 0.0 110.432 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -60.07 139.76 57.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.931 . . . . 0.0 109.199 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -167.48 161.11 13.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.809 . . . . 0.0 109.419 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' GLU . 34.6 tt0 -43.86 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.792 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.425 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 77.5 t60 -69.08 73.05 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.523 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' GLU . 98.5 mt-10 -82.93 -176.57 6.39 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.644 -0.66 . . . . 0.0 109.343 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -67.35 -28.7 68.18 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -57.54 -29.53 64.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.513 -0.742 . . . . 0.0 109.218 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.03 -39.69 86.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 108.683 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -59.97 -41.65 92.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.117 -0.99 . . . . 0.0 109.024 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.18 91.6 4.83 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.293 -0.879 . . . . 0.0 109.008 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -71.19 -23.62 62.07 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.104 -0.997 . . . . 0.0 109.82 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 20' ' ' ARG . 44.2 mtm-85 -60.23 -40.32 89.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.45 85.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 109.672 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.5 ttp -63.62 -42.32 98.2 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -66.29 -39.98 89.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.153 -0.967 . . . . 0.0 109.131 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -69.15 -39.95 78.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.364 -0.835 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.31 -40.07 89.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -99.74 2.4 44.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.385 -0.822 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 52.36 45.18 28.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.395 -0.816 . . . . 0.0 109.964 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 52.7 mt -115.3 152.73 47.18 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.73 160.05 51.17 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 121.555 1.503 . . . . 0.0 110.443 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -55.96 -17.57 19.58 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.308 2.006 . . . . 0.0 111.821 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.8 -50.0 81.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.729 -1.232 . . . . 0.0 109.904 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -69.49 -43.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.031 -1.043 . . . . 0.0 109.15 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.16 86.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.349 -0.844 . . . . 0.0 110.043 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -61.7 -39.78 92.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.976 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -59.96 -40.39 88.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.12 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.75 -39.99 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 108.534 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.14 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.79 85.09 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.768 -0.582 . . . . 0.0 110.4 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -70.18 -38.55 75.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.084 -1.01 . . . . 0.0 109.747 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 t -75.11 104.09 5.54 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.047 -1.033 . . . . 0.0 108.472 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.05 -37.9 81.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.48 -0.762 . . . . 0.0 110.63 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.281 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.3 -56.15 7.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.927 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -74.93 -62.02 1.69 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.359 -0.838 . . . . 0.0 110.787 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.73 73.71 3.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.055 -1.028 . . . . 0.0 110.215 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -91.67 -9.31 44.36 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.307 -0.871 . . . . 0.0 109.468 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.39 125.54 8.07 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.29 156.45 25.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.329 -1.101 . . . . 0.0 109.371 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.29 140.11 22.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.161 -0.962 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.478 ' O ' ' O ' ' B' ' 50' ' ' MET . 25.0 ttt -85.25 107.59 17.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.816 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' B' ' 51' ' ' HIS . 44.3 t-80 -64.7 -40.05 94.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 176.55 46.87 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -94.89 142.82 27.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.211 -1.17 . . . . 0.0 109.337 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -98.46 144.9 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.176 -0.952 . . . . 0.0 109.155 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.612 -179.486 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.95 -40.4 88.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.308 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.98 . . . . 0.0 109.184 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -35.54 91.52 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.18 -38.7 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.546 -0.973 . . . . 0.0 109.6 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.96 -42.21 93.6 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.036 -1.04 . . . . 0.0 109.148 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.89 -41.8 74.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 108.963 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.2 67.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.573 -0.704 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.96 139.52 57.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.935 . . . . 0.0 109.32 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -167.24 161.21 14.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.487 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 13' ' ' GLU . 34.2 tt0 -43.8 158.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.494 -0.753 . . . . 0.0 109.805 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 77.4 t60 -68.93 73.12 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.561 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 11' ' ' GLU . 98.5 mt-10 -83.06 -176.49 6.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.532 -0.73 . . . . 0.0 109.318 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.42 -28.57 68.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.165 -0.959 . . . . 0.0 108.576 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -57.67 -29.49 64.67 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.532 -0.73 . . . . 0.0 109.204 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.99 -39.82 87.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 108.741 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -60.01 -41.44 92.12 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.138 -0.976 . . . . 0.0 108.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.25 91.7 4.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.913 . . . . 0.0 108.982 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -71.35 -23.13 61.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -60.63 -40.25 91.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.016 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.64 85.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.139 -0.976 . . . . 0.0 109.501 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -63.29 -42.47 99.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.354 -0.841 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -66.3 -40.11 89.79 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.062 -1.024 . . . . 0.0 109.056 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -68.77 -40.05 79.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.384 -0.823 . . . . 0.0 109.395 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.72 2.58 44.39 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.351 -0.843 . . . . 0.0 109.839 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 94.5 m-20 52.22 45.19 28.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.264 -0.898 . . . . 0.0 109.817 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 51.9 mt -115.35 152.75 47.25 Favored Pre-proline 0 N--CA 1.498 1.943 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.8 160.02 51.24 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 121.543 1.496 . . . . 0.0 110.528 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.84 -17.45 18.53 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.258 1.972 . . . . 0.0 111.939 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -49.96 81.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.676 -1.265 . . . . 0.0 109.841 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.54 -43.59 80.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.163 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.08 86.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.351 -0.843 . . . . 0.0 110.016 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.77 -39.73 92.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.026 -1.046 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.9 -40.5 89.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.885 -1.134 . . . . 0.0 109.101 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.66 -39.98 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.085 -1.009 . . . . 0.0 108.536 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.24 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.78 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.654 . . . . 0.0 110.323 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.7 m -70.32 -38.6 74.94 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.005 -1.06 . . . . 0.0 109.743 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -74.94 104.14 5.42 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.958 -1.089 . . . . 0.0 108.471 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.99 -38.06 81.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.437 -0.79 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -59.51 -39.12 82.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.328 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.47 -56.26 7.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 109.838 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -74.86 -62.08 1.66 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.296 -0.877 . . . . 0.0 110.774 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.2 mt -76.64 73.8 3.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.045 -1.035 . . . . 0.0 110.246 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -91.81 -9.28 44.05 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.33 -0.856 . . . . 0.0 109.421 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.45 125.51 8.06 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.24 156.48 25.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -1.093 . . . . 0.0 109.289 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.62 140.01 24.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.14 -0.975 . . . . 0.0 109.067 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' MET . 24.9 ttt -85.23 107.45 17.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.939 . . . . 0.0 110.946 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' HIS . 44.1 t-80 -64.7 -40.01 94.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.426 -0.796 . . . . 0.0 109.494 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.48 176.59 47.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -94.82 142.97 26.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.177 -1.19 . . . . 0.0 109.29 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.0 m -98.59 144.75 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.305 -0.872 . . . . 0.0 109.078 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.687 -179.522 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.559 0.695 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -40.02 95.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.455 -0.778 . . . . 0.0 109.921 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.11 -47.78 84.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.2 94.21 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.5 mt -65.74 -40.01 86.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.616 -0.932 . . . . 0.0 110.796 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.96 -49.76 76.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.88 -1.138 . . . . 0.0 109.365 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.53 -40.01 85.05 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.302 -0.874 . . . . 0.0 109.071 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.23 73.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -60.92 138.41 58.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 109.668 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 71.3 tt0 -170.53 165.24 8.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.569 -0.707 . . . . 0.0 109.264 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 10' ' ' GLU . 73.5 mm-40 -44.18 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.369 -0.832 . . . . 0.0 110.015 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -69.31 77.35 0.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.751 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.99 171.01 15.66 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.64 -0.662 . . . . 0.0 109.265 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.88 -27.57 68.31 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -57.93 -26.5 62.31 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.474 -0.766 . . . . 0.0 109.04 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -59.96 -40.12 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 108.652 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -63.17 -42.93 99.48 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.69 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.35 83.88 3.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.835 . . . . 0.0 108.875 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.443 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 60.4 p-90 -70.06 -26.97 64.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.733 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 56.5 mtt-85 -60.05 -40.83 90.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.971 -1.081 . . . . 0.0 109.661 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.03 79.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.0 109.273 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.9 ttp -62.54 -42.01 99.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.37 -0.831 . . . . 0.0 109.796 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.08 -1.012 . . . . 0.0 109.074 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.15 -40.02 78.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.453 -0.779 . . . . 0.0 109.533 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.2 -41.37 92.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.457 -0.777 . . . . 0.0 110.222 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.16 3.43 43.8 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.337 -0.852 . . . . 0.0 109.751 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.75 39.87 31.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 110.276 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.73 149.99 40.68 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.3 160.47 49.7 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.859 1.706 . . . . 0.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.55 -19.71 18.8 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.502 2.135 . . . . 0.0 111.866 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.76 -51.7 69.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.934 -1.104 . . . . 0.0 110.083 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.85 -43.63 82.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.135 -0.978 . . . . 0.0 108.883 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.72 95.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.372 -0.83 . . . . 0.0 109.813 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.69 -40.01 95.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.967 -1.083 . . . . 0.0 110.076 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.88 -41.8 96.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 109.984 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.26 -39.97 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 108.836 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.15 -39.91 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.35 83.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.661 -0.649 . . . . 0.0 110.615 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -70.99 -34.46 71.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.98 -1.075 . . . . 0.0 109.793 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.6 104.34 5.25 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.958 -1.089 . . . . 0.0 108.429 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.97 -39.15 84.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.563 -0.71 . . . . 0.0 110.368 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -59.91 -38.62 82.83 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.19 -0.944 . . . . 0.0 109.409 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -71.37 -50.03 36.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.069 . . . . 0.0 110.209 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -79.93 -69.94 0.55 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.6 130.01 41.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 109.52 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.37 -12.12 35.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.878 . . . . 0.0 109.395 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.87 -166.18 53.45 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 51.21 31.66 7.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -1.201 . . . . 0.0 109.544 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -91.81 -13.35 31.59 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.214 -0.929 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.603 ' SD ' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -63.7 -98.32 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -0.839 . . . . 0.0 109.746 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.603 ' N ' ' SD ' ' A' ' 50' ' ' MET . 84.1 t60 -74.54 122.78 23.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.908 -1.12 . . . . 0.0 109.426 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.45 -127.34 2.18 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.5 103.13 15.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.007 -1.29 . . . . 0.0 108.289 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.81 130.02 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.693 -0.629 . . . . 0.0 109.763 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.191 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.553 0.692 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.81 -39.98 93.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.437 -0.789 . . . . 0.0 109.956 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.14 -47.8 84.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.905 . . . . 0.0 110.094 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.26 94.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.84 -39.98 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.566 -0.961 . . . . 0.0 110.668 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.93 -49.82 76.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.412 -0.805 . . . . 0.0 109.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.05 72.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.568 -0.708 . . . . 0.0 109.844 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.96 138.44 58.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 0.0 109.651 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 11' ' ' GLU . 71.7 tt0 -170.58 165.16 8.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.479 -0.763 . . . . 0.0 109.31 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 10' ' ' GLU . 73.8 mm-40 -44.17 166.57 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.275 -0.891 . . . . 0.0 109.899 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -69.2 77.3 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.963 . . . . 0.0 109.738 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.04 170.91 15.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.65 -0.657 . . . . 0.0 109.279 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.76 -27.79 68.56 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -57.78 -26.41 61.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.435 -0.791 . . . . 0.0 109.062 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.02 -40.25 88.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.088 . . . . 0.0 108.618 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -62.96 -43.07 99.8 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.219 -0.926 . . . . 0.0 108.657 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.34 83.85 3.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 108.89 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.449 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 60.5 p-90 -69.99 -27.03 64.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.082 -1.011 . . . . 0.0 109.753 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.449 ' NH1' ' CH2' ' B' ' 19' ' ' TRP . 56.0 mtt-85 -60.03 -40.86 90.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.026 . . . . 0.0 109.664 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.89 79.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.051 -1.03 . . . . 0.0 109.269 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.61 -42.0 99.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 0.0 109.791 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.81 98.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 109.141 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.19 -40.05 78.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.865 . . . . 0.0 110.418 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.05 3.33 44.05 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 109.868 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.77 40.06 31.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.526 -0.733 . . . . 0.0 110.232 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.3 mt -110.12 149.99 40.86 Favored Pre-proline 0 N--CA 1.499 1.99 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.17 160.43 49.89 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 121.9 1.733 . . . . 0.0 110.958 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.59 -19.68 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.488 2.126 . . . . 0.0 111.831 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.61 -51.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.021 -1.049 . . . . 0.0 110.176 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.72 -43.75 82.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.835 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.72 95.45 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.365 -0.834 . . . . 0.0 109.77 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.81 -39.94 95.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.93 -41.61 96.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 110.003 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.34 -39.98 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 108.841 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.17 -39.99 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.46 83.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -71.0 -34.5 71.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.958 -1.089 . . . . 0.0 109.808 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -74.61 104.35 5.26 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.047 -1.033 . . . . 0.0 108.447 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.95 -39.16 84.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.599 -0.688 . . . . 0.0 110.411 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -59.86 -38.82 83.23 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.469 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.3 -49.91 37.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 110.172 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -80.07 -69.93 0.55 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.35 -0.844 . . . . 0.0 109.995 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 129.99 41.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.42 -12.19 35.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.84 -166.23 53.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 51.42 31.52 7.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -1.142 . . . . 0.0 109.454 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.66 -13.14 32.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.163 -0.961 . . . . 0.0 109.452 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.6 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -64.11 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.323 -0.861 . . . . 0.0 109.663 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.597 ' N ' ' SD ' ' B' ' 50' ' ' MET . 84.0 t60 -74.33 123.02 23.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.947 -1.095 . . . . 0.0 109.442 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.71 -127.15 2.13 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.67 102.86 15.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.08 -1.247 . . . . 0.0 108.313 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.55 130.04 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.58 -0.7 . . . . 0.0 109.811 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.269 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.501 0.667 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.4 -39.97 94.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.638 -0.664 . . . . 0.0 110.448 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.21 -40.68 96.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.22 -33.06 62.19 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.02 -39.83 85.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.623 -0.928 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.97 -40.87 90.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.85 -40.03 83.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.875 -1.141 . . . . 0.0 108.611 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -21.81 63.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.643 -0.66 . . . . 0.0 109.739 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -60.95 138.24 58.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 109.284 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' OE1' ' A' ' 9' ' ' GLN . 34.5 tt0 -170.06 165.37 9.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 9.5 tp10 -57.54 145.08 34.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.634 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -57.09 78.98 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.566 -0.709 . . . . 0.0 109.855 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 4.6 tt0 -101.06 -153.97 0.47 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.425 -0.797 . . . . 0.0 109.415 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -69.97 -31.13 68.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.195 -0.941 . . . . 0.0 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -60.05 -39.77 87.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.666 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.01 -40.11 88.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.987 -1.071 . . . . 0.0 109.6 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.5 p -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.862 -1.149 . . . . 0.0 109.168 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -99.83 94.48 6.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.359 -0.838 . . . . 0.0 109.719 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -74.36 -25.33 59.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.36 -41.01 98.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.978 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.3 ttp -65.54 -40.07 92.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.484 -0.76 . . . . 0.0 109.888 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.67 95.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.047 -1.033 . . . . 0.0 108.919 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.96 75.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.434 -0.791 . . . . 0.0 110.072 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -61.13 -39.98 92.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 0.0 110.035 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -98.7 0.9 45.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.218 -0.926 . . . . 0.0 109.294 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 54.87 41.53 31.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.597 -0.689 . . . . 0.0 109.651 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.13 151.56 43.16 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.62 160.07 51.12 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.815 1.676 . . . . 0.0 111.082 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.48 -18.34 14.75 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.299 1.999 . . . . 0.0 111.412 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.97 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 110.71 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.4 -44.16 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.14 99.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.48 -0.763 . . . . 0.0 109.613 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -62.3 -40.01 94.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.05 . . . . 0.0 109.853 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -41.6 92.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.039 . . . . 0.0 110.138 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.3 -40.06 87.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.963 -1.086 . . . . 0.0 108.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.0 -39.92 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.04 71.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.468 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.65 -40.06 69.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.223 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -75.49 110.45 9.88 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 108.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -60.42 -40.05 89.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 110.62 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 110.115 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -75.98 -33.43 59.75 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.076 . . . . 0.0 109.743 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -79.02 -70.57 0.49 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.272 -0.892 . . . . 0.0 110.851 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -77.69 98.62 5.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.0 109.499 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -98.0 -16.21 19.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.123 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.8 142.19 28.39 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 1.2 pm0 -89.94 0.44 57.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 81.49 113.26 0.06 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.453 ' O ' ' O ' ' B' ' 50' ' ' MET . 16.6 mmt -61.82 141.33 58.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.489 -0.757 . . . . 0.0 109.443 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' GLY . 74.8 t60 -131.55 -17.85 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . 58.74 117.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -96.19 134.82 38.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.159 -1.2 . . . . 0.0 108.914 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.7 t -98.03 120.14 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.699 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.449 179.722 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.547 0.689 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -62.38 -39.95 94.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.474 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.17 -40.61 96.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.37 -32.86 61.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.17 -39.76 85.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.726 -0.867 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 110.064 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.87 -39.98 83.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.869 -1.145 . . . . 0.0 108.623 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.51 -21.8 63.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.673 -0.642 . . . . 0.0 109.83 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' B' ' 10' ' ' GLU . 0.9 OUTLIER -61.08 138.13 58.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 109.335 -179.512 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.42 ' N ' ' OE1' ' B' ' 9' ' ' GLN . 34.3 tt0 -169.95 165.32 9.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.588 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' GLU . 9.5 tp10 -57.36 145.07 33.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.1 79.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.467 -0.771 . . . . 0.0 109.745 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' B' ' 11' ' ' GLU . 4.6 tt0 -101.22 -153.89 0.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -0.81 . . . . 0.0 109.411 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -69.94 -31.12 68.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.248 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -59.94 -39.96 87.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.959 -1.088 . . . . 0.0 109.627 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -63.19 -44.73 94.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.869 -1.145 . . . . 0.0 109.142 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -99.72 94.46 6.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 109.614 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -74.51 -25.13 59.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.956 . . . . 0.0 110.096 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.52 -40.84 98.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.078 -1.014 . . . . 0.0 110.017 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.66 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 0.0 109.116 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.5 ttp -65.54 -40.03 92.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.499 -0.75 . . . . 0.0 109.932 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.71 95.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.953 -1.092 . . . . 0.0 108.926 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.91 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.456 -0.777 . . . . 0.0 110.13 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -61.21 -39.9 91.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.328 -0.858 . . . . 0.0 110.008 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.8 0.86 45.23 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.195 -0.941 . . . . 0.0 109.207 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.02 41.44 31.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.615 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.07 151.48 43.07 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.44 160.15 50.91 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.833 1.689 . . . . 0.0 111.171 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.54 -18.29 14.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.337 2.025 . . . . 0.0 111.406 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.99 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.09 -1.006 . . . . 0.0 110.739 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.46 -44.28 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.955 -1.09 . . . . 0.0 108.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.16 99.42 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.461 -0.774 . . . . 0.0 109.642 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -62.14 -39.98 94.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.078 -1.014 . . . . 0.0 109.933 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 110.059 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.4 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.991 -1.068 . . . . 0.0 108.395 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.05 -39.97 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.2 -32.12 71.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.493 -0.754 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.62 -40.06 70.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.34 110.44 9.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.187 -0.945 . . . . 0.0 108.985 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.5 -39.92 89.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.358 -0.839 . . . . 0.0 110.589 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.4 m -76.0 -33.31 59.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.911 -1.118 . . . . 0.0 109.813 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 -79.23 -70.45 0.5 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 110.767 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.79 98.64 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.975 -1.078 . . . . 0.0 109.532 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -98.07 -15.84 19.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.562 -0.711 . . . . 0.0 110.118 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.12 142.25 28.16 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.663 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 1.1 pm0 -90.03 0.45 57.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.44 -1.035 . . . . 0.0 109.597 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 81.51 112.99 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' MET . 16.7 mmt -61.6 141.42 57.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.473 -0.767 . . . . 0.0 109.42 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' B' ' 52' ' ' GLY . 74.6 t60 -131.68 -17.74 2.84 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.417 -0.802 . . . . 0.0 108.839 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . 58.75 117.47 0.01 OUTLIER Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -95.99 134.84 38.52 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.299 -1.118 . . . . 0.0 108.952 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.95 120.29 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.342 -0.848 . . . . 0.0 109.62 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.346 179.721 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.725 0.774 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.53 -40.64 97.42 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.427 -0.795 . . . . 0.0 110.317 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -63.14 -42.43 99.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 110.203 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.98 95.16 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.8 mt -64.39 -41.3 91.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.576 -0.955 . . . . 0.0 109.967 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -59.52 -47.21 86.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.935 -1.103 . . . . 0.0 110.074 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -68.49 -40.74 80.82 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.848 -1.158 . . . . 0.0 109.501 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.49 68.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.452 -0.78 . . . . 0.0 110.15 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.7 tt0 -62.67 138.04 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.919 -1.113 . . . . 0.0 109.504 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -161.33 -173.76 3.98 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.97 157.11 25.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.023 . . . . 0.0 110.176 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 62.8 t60 -71.87 79.54 0.89 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.995 -1.066 . . . . 0.0 108.916 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -100.35 -160.83 0.82 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.71 . . . . 0.0 109.816 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -70.48 -26.36 63.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.913 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -60.75 -35.9 77.56 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 108.946 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -60.2 -39.74 87.61 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.626 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.7 p -60.34 -47.97 83.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.781 -1.199 . . . . 0.0 109.167 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -93.79 86.15 5.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.141 -0.975 . . . . 0.0 109.357 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -70.12 -25.78 63.65 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.169 -0.957 . . . . 0.0 109.693 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.12 -40.83 95.26 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.442 -0.786 . . . . 0.0 110.067 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.93 97.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.327 -0.858 . . . . 0.0 108.834 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -65.73 -40.17 91.91 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.92 98.45 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 109.278 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -69.17 -40.34 78.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.124 -0.985 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.7 -39.67 92.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 110.272 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.22 -0.15 39.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.173 -0.955 . . . . 0.0 109.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 54.63 46.24 25.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -0.813 . . . . 0.0 110.46 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 mt -114.31 152.07 45.65 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 158.5 56.28 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.946 1.764 . . . . 0.0 110.337 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.61 -21.63 14.98 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.082 1.855 . . . . 0.0 111.511 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -56.51 -54.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.886 -1.134 . . . . 0.0 109.824 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.94 -44.82 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.121 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.38 83.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.792 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.73 -38.33 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.652 -1.28 . . . . 0.0 110.541 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.65 -39.73 92.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.749 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.44 -39.69 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.77 -39.92 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.09 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.28 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.676 -0.64 . . . . 0.0 109.283 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -70.54 -37.74 74.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.106 -0.996 . . . . 0.0 109.031 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 t -73.97 109.6 7.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.132 -0.98 . . . . 0.0 108.926 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.09 -38.96 84.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.269 -0.894 . . . . 0.0 109.355 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -58.93 -39.97 83.18 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.998 -1.064 . . . . 0.0 110.19 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -80.11 -31.08 39.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.047 -1.033 . . . . 0.0 110.838 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.29 -57.92 5.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.841 . . . . 0.0 111.666 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.12 119.7 22.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.671 -1.268 . . . . 0.0 109.452 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -95.23 125.65 40.01 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.992 -1.067 . . . . 0.0 110.014 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 16.7 68.97 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 54.82 -169.32 0.07 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -1.011 . . . . 0.0 109.673 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HB1' ' SD ' ' B' ' 50' ' ' MET . . . -70.14 151.78 45.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.387 -0.821 . . . . 0.0 110.016 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -78.57 126.07 30.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.489 -0.757 . . . . 0.0 109.462 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -156.68 155.31 31.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.254 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.22 19.49 71.93 Favored Glycine 0 N--CA 1.486 2.02 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.356 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -83.57 11.99 6.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.947 -1.325 . . . . 0.0 109.209 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.9 p -100.16 137.14 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.782 . . . . 0.0 109.156 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.869 179.602 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.545 0.688 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.46 -40.92 96.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.521 -0.737 . . . . 0.0 110.196 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.52 -43.86 95.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.477 -0.764 . . . . 0.0 109.996 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -37.81 95.26 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.24 -40.04 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.767 -0.843 . . . . 0.0 110.495 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -60.02 -46.41 89.6 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.855 -1.153 . . . . 0.0 109.885 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.33 -40.83 77.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.774 -1.204 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.23 72.07 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.297 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.54 137.9 58.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.956 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -161.27 -176.26 5.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -62.86 154.89 28.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.01 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' B' ' 12' ' ' HIS . 65.0 t60 -69.62 79.4 0.42 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.512 -0.743 . . . . 0.0 109.32 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -100.31 -162.63 0.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.638 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.14 -26.81 65.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.467 -0.77 . . . . 0.0 109.543 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.27 -39.97 88.71 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.242 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -61.79 -46.85 87.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.225 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -93.55 85.97 5.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -70.27 -26.85 64.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.889 -1.132 . . . . 0.0 109.761 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.09 -41.25 92.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.937 -1.102 . . . . 0.0 110.36 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.7 91.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.19 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.57 -41.14 89.02 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.65 -0.656 . . . . 0.0 109.739 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.46 96.74 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.358 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -68.79 -40.27 79.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.15 -40.48 96.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.901 -1.124 . . . . 0.0 110.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.08 -0.48 41.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.334 -0.854 . . . . 0.0 109.798 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 54.48 45.59 26.71 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.545 -0.722 . . . . 0.0 109.973 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.48 151.35 44.38 Favored Pre-proline 0 N--CA 1.499 1.982 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.85 158.12 57.92 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.83 1.687 . . . . 0.0 110.683 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.4 -21.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 121.907 1.738 . . . . 0.0 111.467 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.54 -53.29 46.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.824 -1.173 . . . . 0.0 110.178 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.73 -44.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 109.194 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.7 84.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.511 -0.743 . . . . 0.0 109.986 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -62.08 -39.7 93.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.583 -1.323 . . . . 0.0 110.189 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.4 -39.94 92.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.832 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.73 -39.68 84.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.879 -1.138 . . . . 0.0 108.23 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.23 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.271 -0.893 . . . . 0.0 108.872 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.94 69.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.392 -0.817 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -36.87 69.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.114 -0.992 . . . . 0.0 108.957 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 24.5 t -75.35 109.48 8.91 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.265 -0.897 . . . . 0.0 109.016 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.68 -38.28 81.11 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.691 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -59.29 -40.28 85.67 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.062 -1.024 . . . . 0.0 110.263 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.06 -31.13 39.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.032 -1.042 . . . . 0.0 110.821 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -67.44 -59.63 3.23 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.007 -1.058 . . . . 0.0 111.987 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.48 119.91 21.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.059 -1.026 . . . . 0.0 109.141 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -95.47 126.86 41.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.735 -1.228 . . . . 0.0 109.616 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 18.63 69.55 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 53.52 -167.49 0.07 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.539 -0.977 . . . . 0.0 109.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.94 151.59 41.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.503 -0.748 . . . . 0.0 109.848 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.556 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -76.16 127.6 33.24 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 110.185 -179.397 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -159.0 155.07 26.83 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.964 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 23.1 67.83 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -85.91 10.03 15.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.286 -1.126 . . . . 0.0 109.134 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -100.11 136.66 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.214 0.53 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.24 -41.54 96.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.19 -40.67 96.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.381 -0.824 . . . . 0.0 109.899 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.49 -36.1 92.69 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.65 -39.69 82.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -1.094 . . . . 0.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.35 -42.55 91.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.82 -1.175 . . . . 0.0 110.279 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.31 -41.05 73.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 109.483 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.88 62.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.756 -0.59 . . . . 0.0 110.899 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.3 140.29 58.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 109.445 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.61 -175.72 3.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.117 -0.989 . . . . 0.0 109.424 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.79 154.91 41.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.171 -0.956 . . . . 0.0 109.82 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.75 72.78 0.55 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.535 -0.728 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -102.17 -149.71 0.39 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.573 -0.705 . . . . 0.0 109.861 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.27 -32.56 70.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.471 -0.768 . . . . 0.0 109.852 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 109.699 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -60.32 -44.86 95.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.148 -0.97 . . . . 0.0 109.64 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -98.01 100.37 11.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.289 -0.882 . . . . 0.0 108.759 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.467 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 55.7 p-90 -77.25 -24.86 51.09 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.387 -0.821 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 58.7 mtt-85 -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.407 -0.808 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.54 97.38 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.069 -1.053 . . . . 0.0 108.706 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.2 ttm -62.5 -44.16 97.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.324 -0.86 . . . . 0.0 109.898 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.79 -44.98 94.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -67.33 -40.07 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.597 -0.689 . . . . 0.0 109.882 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.4 -40.59 94.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.212 -0.93 . . . . 0.0 109.852 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -100.59 1.93 41.27 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.489 -0.757 . . . . 0.0 110.136 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.1 m-20 55.02 43.64 29.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.509 -0.744 . . . . 0.0 110.185 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 41.8 mt -116.92 150.71 46.36 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.1 162.12 36.99 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.892 1.728 . . . . 0.0 110.778 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.05 -20.74 24.55 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.689 2.26 . . . . 0.0 112.623 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.01 -48.63 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.686 -1.259 . . . . 0.0 110.751 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.62 -44.54 82.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.878 -1.139 . . . . 0.0 109.204 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.26 94.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -63.03 -39.47 94.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.167 -0.958 . . . . 0.0 109.747 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.49 -40.15 90.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.851 -1.156 . . . . 0.0 109.339 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.04 -40.05 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.905 -1.122 . . . . 0.0 108.744 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.81 -40.06 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.185 -0.947 . . . . 0.0 108.539 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' B' ' 38' ' ' ALA . . . -66.58 -35.51 80.37 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.599 -0.688 . . . . 0.0 109.609 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -72.56 -38.85 67.84 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.316 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.76 114.21 15.27 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.45 -39.75 88.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.0 110.585 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.42 -41.15 93.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.908 -1.12 . . . . 0.0 110.156 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.56 -29.88 37.03 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.279 -0.888 . . . . 0.0 110.309 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -65.08 -59.28 4.3 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.238 -0.914 . . . . 0.0 110.951 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.75 110.65 14.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.921 -1.112 . . . . 0.0 109.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.19 123.83 36.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.0 110.26 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.4 -176.53 27.3 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.44 141.65 35.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.273 -1.133 . . . . 0.0 109.341 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -78.14 -58.28 3.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -0.936 . . . . 0.0 109.934 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.466 ' H ' ' HB2' ' B' ' 51' ' ' HIS . 27.9 ttt 55.73 108.83 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.548 -0.72 . . . . 0.0 110.315 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -85.9 129.96 34.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.456 -0.777 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.72 -175.87 38.93 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.529 -1.828 . . . . 0.0 108.529 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 52.8 62.97 2.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.932 -1.334 . . . . 0.0 109.363 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.78 138.2 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.124 -0.985 . . . . 0.0 109.217 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.11 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.44 -40.9 98.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.359 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.18 -41.37 97.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.377 -0.827 . . . . 0.0 109.858 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.81 91.73 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.94 -39.76 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -1.039 . . . . 0.0 110.375 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.38 -41.8 90.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.883 -1.136 . . . . 0.0 110.687 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -70.62 -39.95 73.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.832 -1.168 . . . . 0.0 109.369 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -25.62 61.66 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.7 -0.625 . . . . 0.0 110.59 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.95 139.88 58.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.043 -1.036 . . . . 0.0 109.859 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' HG2' ' HE2' ' B' ' 16' ' ' HIS . 14.4 pt-20 -165.02 -175.93 3.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.872 . . . . 0.0 109.291 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.81 154.15 42.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 110.254 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.84 71.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.451 -0.781 . . . . 0.0 109.269 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -100.82 -149.66 0.38 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.566 0.698 . . . . 0.0 110.152 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.91 -32.82 71.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.708 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -60.3 -39.7 87.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.336 -0.853 . . . . 0.0 109.967 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.415 ' HE2' ' HG2' ' B' ' 10' ' ' GLU . 8.6 m170 -60.44 -40.22 90.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.992 -1.067 . . . . 0.0 109.655 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -60.06 -45.33 93.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.162 -0.961 . . . . 0.0 109.289 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.13 99.39 10.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.361 -0.837 . . . . 0.0 109.166 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.404 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 54.0 p-90 -76.58 -25.23 53.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.0 mtt-85 -60.62 -40.39 91.75 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.94 97.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.029 -1.044 . . . . 0.0 109.009 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -62.46 -43.79 97.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 110.121 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.48 -44.66 93.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.06 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.6 t -67.58 -40.18 84.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.635 -0.666 . . . . 0.0 109.716 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -61.39 -40.29 93.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.357 -0.839 . . . . 0.0 109.467 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -100.8 0.92 39.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.453 -0.779 . . . . 0.0 110.241 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 56.37 42.36 27.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.355 -0.841 . . . . 0.0 110.405 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.462 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 47.3 mt -116.28 151.42 46.77 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.46 162.09 38.17 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 121.627 1.551 . . . . 0.0 111.036 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.49 -19.41 22.83 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.554 2.169 . . . . 0.0 112.46 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -49.88 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.712 -1.243 . . . . 0.0 110.615 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.74 -45.78 87.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 120.99 -1.069 . . . . 0.0 109.396 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.93 96.77 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.854 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.41 -39.5 94.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.886 -1.134 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.78 -40.05 91.11 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.723 -1.236 . . . . 0.0 109.695 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.73 -40.49 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.796 -1.19 . . . . 0.0 108.739 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.68 -40.89 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 38' ' ' ALA . . . -66.17 -37.16 84.97 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.532 -0.73 . . . . 0.0 109.419 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -70.18 -39.12 75.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.429 -0.794 . . . . 0.0 110.125 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.6 114.37 15.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.994 -1.066 . . . . 0.0 108.732 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.51 -40.03 89.92 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.377 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.17 -41.77 93.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.798 -1.189 . . . . 0.0 110.298 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -79.82 -28.89 40.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.0 110.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -66.47 -60.31 2.86 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.104 -0.997 . . . . 0.0 111.103 -177.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -78.29 110.38 13.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.945 -1.097 . . . . 0.0 108.885 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -92.5 123.59 35.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 110.212 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.22 -175.23 28.98 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -81.19 139.93 35.24 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -77.13 -58.58 3.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.451 ' O ' ' O ' ' B' ' 49' ' ' ALA . 27.8 ttt 54.77 110.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.734 0.778 . . . . 0.0 109.856 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.466 ' HB2' ' H ' ' A' ' 50' ' ' MET . 36.6 t-80 -87.81 130.09 34.98 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.403 -0.811 . . . . 0.0 108.941 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.65 -173.99 35.18 Favored Glycine 0 N--CA 1.482 1.766 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 50.88 63.84 2.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.181 -1.188 . . . . 0.0 109.378 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.33 140.02 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 108.999 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.2 t0 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.751 -1.118 . . . . 0.0 109.557 -179.386 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 121.828 0.823 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.82 -40.5 97.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 110.953 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.77 -39.94 91.53 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.171 -0.956 . . . . 0.0 111.424 -178.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.56 -34.93 90.44 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.841 -1.704 . . . . 0.0 108.841 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.97 -40.05 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 121.376 -1.073 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.33 -178.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.451 -1.406 . . . . 0.0 108.904 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.31 78.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.723 -0.611 . . . . 0.0 110.199 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -65.65 127.31 31.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.308 -0.87 . . . . 0.0 110.194 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -147.3 -165.04 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.331 -0.855 . . . . 0.0 109.047 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' GLU . 67.1 mm-40 -69.83 153.78 42.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 109.351 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.484 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 70.1 t60 -64.71 71.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 109.676 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 11' ' ' GLU . 86.5 mt-10 -94.05 -162.14 0.91 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.365 -0.834 . . . . 0.0 109.368 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 17' ' ' SER . 67.9 mttm -69.89 -25.61 63.78 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.547 -0.721 . . . . 0.0 109.822 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.88 -36.6 77.28 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.28 -40.67 86.86 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.592 -1.318 . . . . 0.0 109.106 179.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 78.3 p -62.56 -42.63 99.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.882 -1.136 . . . . 0.0 108.844 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -92.4 84.05 5.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.947 -1.096 . . . . 0.0 108.734 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -71.39 -24.17 62.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 0.0 109.757 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -61.75 -40.39 94.95 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.579 -1.326 . . . . 0.0 109.76 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.49 94.24 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.0 ttm -61.74 -47.07 86.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.33 -0.856 . . . . 0.0 109.268 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.078 -1.014 . . . . 0.0 109.535 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -69.11 -40.26 78.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.38 -0.825 . . . . 0.0 110.12 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.73 -40.85 93.87 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.279 -0.888 . . . . 0.0 109.981 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -102.89 1.82 34.43 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 0.0 110.47 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.0 m-20 53.06 47.42 24.6 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 110.434 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 38.4 mt -118.02 152.04 49.79 Favored Pre-proline 0 N--CA 1.501 2.092 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.73 161.63 42.92 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.513 1.475 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.9 -20.45 13.25 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 122.736 2.291 . . . . 0.0 112.048 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -50.63 79.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.075 -1.016 . . . . 0.0 111.174 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.81 -42.55 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.479 -1.388 . . . . 0.0 109.032 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.28 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 109.678 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -62.25 -40.19 95.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.876 -1.14 . . . . 0.0 109.668 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.4 tm-20 -61.21 -40.57 94.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.05 . . . . 0.0 109.633 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.49 -40.5 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.865 -1.147 . . . . 0.0 108.773 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.94 -40.0 87.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.88 -28.4 65.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.531 -0.731 . . . . 0.0 110.1 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.411 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 47.1 m -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.018 -1.051 . . . . 0.0 109.322 -179.437 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 t -71.74 113.32 8.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 109.408 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.33 -40.05 89.25 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.08 -1.013 . . . . 0.0 110.128 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.29 -39.64 87.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.41 -0.806 . . . . 0.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.09 -35.73 49.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.035 -1.041 . . . . 0.0 109.976 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.25 -71.6 0.38 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.696 . . . . 0.0 109.783 -178.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.66 151.47 44.91 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.482 0.658 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.13 -6.4 58.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.017 -1.052 . . . . 0.0 109.973 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.28 -58.46 0.5 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -95.88 136.97 35.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -1.116 . . . . 0.0 108.745 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.85 29.0 0.18 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.834 -1.166 . . . . 0.0 110.022 -179.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -131.45 -21.76 2.52 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.111 -0.993 . . . . 0.0 109.596 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 52.18 50.28 18.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.632 -1.292 . . . . 0.0 108.737 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.71 6.77 10.82 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -95.05 131.82 40.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.189 -1.183 . . . . 0.0 109.465 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.0 129.97 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.579 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.431 0.634 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.74 -42.27 92.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.684 . . . . 0.0 111.167 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.26 -41.05 97.12 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.699 -1.251 . . . . 0.0 110.816 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.72 92.41 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.0 mt -67.44 -40.02 83.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.185 -1.186 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.31 -49.94 75.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.727 -1.233 . . . . 0.0 109.974 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.41 -39.52 89.03 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.866 -1.146 . . . . 0.0 109.12 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.84 76.79 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.738 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.17 129.8 41.04 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 110.644 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -148.76 -164.93 2.14 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 13' ' ' GLU . 65.5 mm-40 -71.05 154.03 42.11 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.33 -0.856 . . . . 0.0 109.271 179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -64.44 73.1 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 11' ' ' GLU . 90.3 mt-10 -96.53 -162.14 0.93 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.581 -0.699 . . . . 0.0 109.229 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.94 -26.62 64.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.706 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -59.7 -35.54 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.917 -1.114 . . . . 0.0 110.199 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.15 -41.0 91.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.605 -1.309 . . . . 0.0 108.666 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -61.95 -44.07 97.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.961 -1.087 . . . . 0.0 108.496 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -92.02 86.19 5.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.0 109.152 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -72.33 -25.67 61.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.512 -0.743 . . . . 0.0 110.001 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -60.41 -41.56 94.18 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.819 -0.753 . . . . 0.0 109.781 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.22 92.61 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.151 -0.968 . . . . 0.0 110.111 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.89 -46.47 89.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.899 -1.126 . . . . 0.0 109.067 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.81 -41.77 99.44 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.684 0.754 . . . . 0.0 109.815 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.2 -39.96 78.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.74 -41.45 95.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.354 -0.841 . . . . 0.0 109.807 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.64 0.28 35.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.373 -0.829 . . . . 0.0 110.024 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.08 50.81 15.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.168 -0.958 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.7 mt -122.44 153.0 62.12 Favored Pre-proline 0 N--CA 1.498 1.972 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.77 160.57 47.7 Favored 'Trans proline' 0 N--CA 1.503 2.079 0 C-N-CA 121.88 1.72 . . . . 0.0 112.289 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.18 -19.37 12.06 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.579 2.186 . . . . 0.0 112.052 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -50.38 80.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.049 -1.032 . . . . 0.0 110.711 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.79 -44.71 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.746 -1.221 . . . . 0.0 108.676 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.48 97.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -0.97 . . . . 0.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -63.73 -39.92 95.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.08 -1.012 . . . . 0.0 109.609 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.45 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.6 tm-20 -60.51 -41.2 93.87 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.125 -0.984 . . . . 0.0 109.974 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -64.89 -40.44 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.07 -40.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.425 -0.797 . . . . 0.0 109.133 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.93 -29.66 66.86 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.572 0.701 . . . . 0.0 110.226 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.45 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 65.8 m -70.72 -39.1 73.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.855 -1.153 . . . . 0.0 109.196 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.17 113.7 9.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.016 -1.053 . . . . 0.0 109.196 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.99 -40.26 88.57 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.608 -0.683 . . . . 0.0 109.552 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.7 -40.03 90.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.018 -1.051 . . . . 0.0 111.209 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.05 -34.97 50.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.874 -1.141 . . . . 0.0 109.981 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -76.21 -69.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.222 -0.924 . . . . 0.0 110.365 -178.352 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.29 155.24 39.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.53 -5.03 59.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.14 -0.975 . . . . 0.0 109.563 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 -58.25 0.59 Allowed Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.15 135.68 36.42 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.161 . . . . 0.0 109.295 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.92 30.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.324 -0.86 . . . . 0.0 110.518 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -133.33 -21.05 2.07 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.517 -1.364 . . . . 0.0 109.089 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 62.5 t-80 51.25 51.01 17.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.173 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.8 7.25 9.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -93.98 131.75 39.13 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.113 -1.228 . . . . 0.0 109.37 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -98.55 130.37 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.048 -1.032 . . . . 0.0 109.545 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.301 -1.539 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.584 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.157 0.503 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.83 -40.09 95.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.359 -0.838 . . . . 0.0 110.204 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.66 -42.59 98.07 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.133 -0.98 . . . . 0.0 109.621 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.31 96.8 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.56 -39.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.422 -1.046 . . . . 0.0 109.989 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.5 -49.68 76.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.149 -0.969 . . . . 0.0 110.63 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -68.05 -40.25 82.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.922 -1.112 . . . . 0.0 109.461 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -26.43 64.5 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 109.95 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.17 131.59 51.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 108.991 -179.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 45.3 tt0 -153.85 161.13 42.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.351 -0.843 . . . . 0.0 108.95 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.5 tp10 -53.02 153.35 3.51 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 109.335 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -65.91 70.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.447 -0.783 . . . . 0.0 109.356 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.7 tt0 -101.07 -149.75 0.38 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.647 0.737 . . . . 0.0 109.648 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 98.4 mttt -70.18 -34.67 73.25 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.528 -0.732 . . . . 0.0 110.948 -179.499 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -59.82 -37.79 80.19 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.152 -0.967 . . . . 0.0 109.141 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' NE2' ' O ' ' A' ' 10' ' ' GLU . 7.5 m170 -60.54 -42.24 96.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.875 -1.14 . . . . 0.0 109.072 179.254 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -60.36 -48.59 81.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.939 -1.1 . . . . 0.0 109.599 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -95.98 87.89 4.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.054 -1.029 . . . . 0.0 109.588 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.611 ' CE2' ' NZ ' ' A' ' 34' ' ' LYS . 66.1 p-90 -70.05 -22.47 63.07 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.217 -0.927 . . . . 0.0 109.589 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.35 -40.88 92.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.053 -1.029 . . . . 0.0 109.092 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.18 94.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.126 -0.984 . . . . 0.0 109.195 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.476 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.1 ttm -60.75 -45.98 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.419 -0.8 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.11 -42.16 99.5 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.327 -0.858 . . . . 0.0 109.371 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 t -69.87 -40.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -60.42 -40.2 90.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -100.84 1.76 40.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.539 -0.725 . . . . 0.0 109.68 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.2 m-20 53.61 44.95 29.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.0 mt -116.4 152.67 48.35 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.54 161.32 46.46 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 121.458 1.439 . . . . 0.0 110.737 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.21 -17.54 11.97 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.542 2.161 . . . . 0.0 111.793 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.16 -50.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.0 110.441 -178.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.81 -47.96 77.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 120.975 -1.078 . . . . 0.0 109.149 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.81 94.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' A' ' 19' ' ' TRP . 17.3 mmtm -63.98 -39.97 95.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.089 -1.007 . . . . 0.0 109.762 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 5.5 tm-20 -60.78 -40.29 92.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.031 -1.043 . . . . 0.0 109.805 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.476 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.8 mt -61.72 -39.73 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.37 -39.52 83.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.68 74.17 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.876 -0.515 . . . . 0.0 109.749 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.452 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 68.6 m -73.92 -39.03 64.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.171 -0.955 . . . . 0.0 110.166 -179.474 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.03 117.42 18.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 108.799 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.46 -40.1 93.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.139 -0.976 . . . . 0.0 110.234 -179.212 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.9 -42.07 97.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.413 -0.805 . . . . 0.0 110.183 -179.124 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.2 m -79.21 -23.59 43.69 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.056 -1.027 . . . . 0.0 109.942 -179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -71.44 -66.52 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.25 -0.906 . . . . 0.0 110.268 -178.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -74.83 129.54 37.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.922 -1.111 . . . . 0.0 108.806 179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -87.69 -13.97 41.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.708 -1.245 . . . . 0.0 109.726 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 117.49 -25.4 8.63 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 53.0 mp0 -71.76 45.41 0.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.338 . . . . 0.0 109.468 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -68.46 162.93 24.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.368 -0.833 . . . . 0.0 109.662 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.1 mmm -61.07 156.38 18.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.269 -0.894 . . . . 0.0 109.892 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -139.72 150.34 44.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.306 -0.871 . . . . 0.0 109.723 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.455 ' H ' ' H ' ' B' ' 52' ' ' GLY . . . -58.1 138.63 48.51 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.276 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -89.22 121.05 31.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -1.083 . . . . 0.0 109.219 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.4 t -134.5 124.3 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.97 -1.081 . . . . 0.0 109.598 179.969 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.249 0.547 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.7 -40.05 95.82 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.393 -0.817 . . . . 0.0 110.129 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 3' ' ' ASP . 31.6 t0 -64.08 -41.26 97.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.546 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 -37.85 95.16 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.33 -39.61 85.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.659 -0.907 . . . . 0.0 109.964 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.86 -49.36 78.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.926 -1.109 . . . . 0.0 110.816 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -67.44 -40.47 85.43 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.987 -1.071 . . . . 0.0 109.084 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -26.77 64.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.558 -0.714 . . . . 0.0 110.102 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.14 131.79 51.92 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.156 -0.965 . . . . 0.0 109.352 -179.328 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 46.9 tt0 -155.38 158.5 38.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.866 . . . . 0.0 109.233 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' B' ' 13' ' ' GLU . 8.5 tp10 -50.05 153.9 1.27 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.204 -0.935 . . . . 0.0 109.39 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 71.1 t60 -67.25 71.91 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.9 . . . . 0.0 109.604 -179.345 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 11' ' ' GLU . 15.3 tt0 -101.73 -149.79 0.39 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.579 0.704 . . . . 0.0 109.62 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.02 -34.36 73.17 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.609 -0.682 . . . . 0.0 110.996 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -60.18 -39.02 85.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.095 -1.003 . . . . 0.0 109.199 -178.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' B' ' 10' ' ' GLU . 7.7 m170 -60.56 -41.3 94.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.79 -1.194 . . . . 0.0 109.025 179.34 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.6 -49.42 77.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.8 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.22 88.27 5.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.178 -0.951 . . . . 0.0 109.207 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' TRP . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 34' ' ' LYS . 66.5 p-90 -70.37 -22.58 62.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.078 -1.014 . . . . 0.0 109.57 179.731 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.94 -39.81 90.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.78 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.067 . . . . 0.0 108.667 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.2 ttm -60.9 -45.59 94.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.851 . . . . 0.0 109.756 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -63.85 -41.94 97.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.082 -1.011 . . . . 0.0 109.531 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -69.28 -40.5 77.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.905 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.56 -40.65 92.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 0.0 109.571 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.34 1.86 41.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.48 -0.763 . . . . 0.0 109.714 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 23' ' ' ALA . 96.0 m-20 53.61 44.4 29.82 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.468 -0.77 . . . . 0.0 109.266 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 56.8 mt -115.36 152.79 47.31 Favored Pre-proline 0 N--CA 1.5 2.074 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 161.56 45.55 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.688 1.592 . . . . 0.0 110.95 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.56 -17.41 12.79 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.443 2.095 . . . . 0.0 111.623 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.55 -50.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.058 -1.027 . . . . 0.0 110.406 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.93 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.65 98.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 19' ' ' TRP . 17.6 mmtm -63.03 -39.79 95.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.209 -0.932 . . . . 0.0 109.608 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.466 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.2 tm-20 -61.1 -40.66 94.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 109.487 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.495 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -61.26 -40.3 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 108.831 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.76 -40.53 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.28 73.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.931 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.466 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 69.8 m -73.94 -39.64 63.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.039 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.0 t -76.71 118.9 19.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.064 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.06 -40.18 94.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 110.496 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.01 -41.38 98.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 110.358 -178.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 40.0 m -79.6 -22.45 43.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.787 -1.196 . . . . 0.0 110.037 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.08 -67.36 0.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.256 -0.902 . . . . 0.0 109.913 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -74.23 130.11 39.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.003 -1.06 . . . . 0.0 109.033 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.57 -13.36 40.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.992 -1.067 . . . . 0.0 109.86 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 115.56 -22.88 11.51 Favored Glycine 0 N--CA 1.505 3.233 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 47.4 mp0 -73.86 44.36 0.17 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.906 -1.35 . . . . 0.0 109.215 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -67.04 163.55 19.74 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.448 -0.782 . . . . 0.0 109.921 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.28 154.36 23.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.233 -0.917 . . . . 0.0 109.884 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -137.75 149.91 46.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.392 -0.817 . . . . 0.0 109.262 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.455 ' H ' ' H ' ' A' ' 52' ' ' GLY . . . -59.52 141.5 47.42 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -90.56 120.61 31.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -1.103 . . . . 0.0 109.74 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.9 t -133.95 124.04 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.055 -1.028 . . . . 0.0 109.761 179.983 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.27 0.557 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.08 -42.39 94.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.592 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -64.14 -39.96 95.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.994 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.51 97.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.85 -40.07 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.618 -0.931 . . . . 0.0 110.682 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -46.29 89.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.15 . . . . 0.0 109.645 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.45 -39.96 77.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.104 -0.997 . . . . 0.0 109.172 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.14 62.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.54 -0.725 . . . . 0.0 110.109 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.15 137.68 58.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.179 -0.951 . . . . 0.0 109.876 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -158.42 165.71 34.0 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -59.48 152.15 22.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.091 -1.005 . . . . 0.0 109.48 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.91 78.05 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.428 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 11' ' ' GLU . 75.5 mm-40 -100.59 -159.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.638 -0.663 . . . . 0.0 109.38 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.01 -30.64 68.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.244 -0.91 . . . . 0.0 109.758 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.03 -36.25 76.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.387 -0.821 . . . . 0.0 109.188 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -59.96 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.052 -1.03 . . . . 0.0 109.182 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -60.06 -45.74 91.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.966 -1.084 . . . . 0.0 109.118 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -94.12 88.98 5.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 109.435 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.94 -29.02 66.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.948 . . . . 0.0 109.684 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 40.3 mtm-85 -60.8 -41.06 94.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 110.481 -178.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.963 -1.086 . . . . 0.0 109.056 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 ttp -65.37 -40.68 93.85 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.439 -0.788 . . . . 0.0 109.578 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.93 96.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.232 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -66.26 -39.98 89.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 0.0 109.907 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.61 -40.02 95.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -0.924 . . . . 0.0 110.025 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -98.42 -0.53 43.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 53.85 46.52 25.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.779 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.21 150.9 46.05 Favored Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.35 159.93 51.78 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 121.342 1.361 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.66 -21.22 10.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.685 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.47 -54.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.84 -44.99 92.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.413 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.92 89.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.428 -0.795 . . . . 0.0 109.85 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -63.28 -39.34 94.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.154 -0.966 . . . . 0.0 110.066 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.73 -1.232 . . . . 0.0 109.692 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.2 -39.96 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.406 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.68 -39.96 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.94 95.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 109.384 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m -71.59 -39.98 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.94 111.46 10.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.982 -1.074 . . . . 0.0 108.772 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.15 -39.92 88.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.323 -0.861 . . . . 0.0 110.674 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.38 -40.02 89.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 110.375 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.23 -27.27 47.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.023 -1.048 . . . . 0.0 110.038 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -77.11 -74.25 0.26 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.25 -0.906 . . . . 0.0 110.534 -178.544 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.35 140.01 50.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.094 -1.004 . . . . 0.0 109.158 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -88.51 -7.67 56.12 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.083 -1.01 . . . . 0.0 109.541 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.42 -21.33 41.48 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.8 mt-10 -74.64 -164.66 0.29 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.88 -1.365 . . . . 0.0 108.693 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 67.37 49.18 1.06 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.155 -0.966 . . . . 0.0 109.605 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.4 ttm -154.03 136.98 15.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.04 -1.037 . . . . 0.0 109.334 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -68.12 160.02 29.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.166 -0.959 . . . . 0.0 109.968 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.63 133.19 3.43 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 50.0 -150.64 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.434 -1.039 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.15 127.97 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.24 -0.912 . . . . 0.0 109.618 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.384 179.322 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.0 -42.59 94.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.231 -0.918 . . . . 0.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.06 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.44 97.12 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.91 -40.06 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -1.008 . . . . 0.0 110.707 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.04 -46.32 89.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.941 -1.099 . . . . 0.0 109.588 -179.16 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.38 -40.07 77.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.936 . . . . 0.0 109.167 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.2 63.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.577 -0.702 . . . . 0.0 110.168 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -61.14 137.69 58.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 0.0 109.88 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -158.47 165.61 34.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.0 108.791 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 13' ' ' GLU . 51.1 mt-10 -59.27 152.13 21.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.948 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.92 78.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.425 -0.797 . . . . 0.0 109.405 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 11' ' ' GLU . 75.6 mm-40 -100.47 -159.29 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.632 -0.668 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -30.63 67.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -60.04 -36.19 76.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.313 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -60.09 -39.93 87.83 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.092 -1.005 . . . . 0.0 109.141 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -60.16 -45.7 92.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.873 -1.142 . . . . 0.0 109.037 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -94.08 89.01 5.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.99 -29.02 66.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.664 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' B' ' 20' ' ' ARG . 40.1 mtm-85 -60.85 -40.97 94.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -178.826 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.27 95.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.989 -1.07 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -65.3 -40.74 94.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.443 -0.786 . . . . 0.0 109.617 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.92 96.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.081 -1.012 . . . . 0.0 109.229 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -66.25 -39.99 89.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.391 -0.818 . . . . 0.0 109.896 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.56 -40.01 95.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.149 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -98.57 -0.42 43.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.198 -0.939 . . . . 0.0 109.989 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 53.85 46.42 25.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 109.76 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -116.12 150.86 45.9 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.24 159.97 51.7 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 121.303 1.336 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.66 -21.27 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.361 2.04 . . . . 0.0 111.768 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.44 -54.41 31.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 110.39 -178.948 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.85 -45.07 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.111 -0.993 . . . . 0.0 109.388 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.85 89.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.32 -39.23 93.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.121 -0.987 . . . . 0.0 110.105 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.633 -1.292 . . . . 0.0 109.634 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.21 -40.05 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.968 -1.082 . . . . 0.0 108.458 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.6 -40.0 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.95 95.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.611 -0.68 . . . . 0.0 109.32 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.8 m -71.57 -40.04 70.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.057 -1.027 . . . . 0.0 109.535 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -74.96 111.37 10.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.958 -1.089 . . . . 0.0 108.776 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.13 -39.96 88.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.347 -0.845 . . . . 0.0 110.549 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.26 -39.92 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.0 110.513 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.27 -27.39 47.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -77.02 -74.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 110.619 -178.549 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.28 140.04 50.19 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.126 -0.984 . . . . 0.0 109.175 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -88.45 -7.47 56.52 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.038 -1.039 . . . . 0.0 109.547 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.24 -21.28 42.0 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 97.7 mt-10 -74.79 -164.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.861 -1.376 . . . . 0.0 108.688 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 67.49 48.94 1.05 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.116 -0.99 . . . . 0.0 109.628 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.3 ttm -153.95 136.83 15.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.121 -0.987 . . . . 0.0 109.42 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -68.05 159.92 29.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.187 -0.945 . . . . 0.0 109.93 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.59 133.26 3.47 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 49.99 -150.56 0.21 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.391 -1.064 . . . . 0.0 109.462 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.26 127.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.358 -0.839 . . . . 0.0 109.571 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.359 179.292 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.64 -40.08 84.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.51 -43.14 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.956 . . . . 0.0 110.383 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.39 97.32 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.76 -40.07 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.641 -0.917 . . . . 0.0 110.327 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.98 -48.61 81.01 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 -178.538 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.79 -40.02 79.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.854 -1.154 . . . . 0.0 109.649 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -28.77 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.017 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.49 137.6 58.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.782 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -169.9 163.93 9.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.34 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.966 -1.084 . . . . 0.0 109.513 -179.436 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -70.15 79.02 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.099 -1.001 . . . . 0.0 110.29 -178.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -77.13 170.56 16.32 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.9 -28.16 69.65 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.3 -24.34 64.9 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.397 -0.814 . . . . 0.0 110.117 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.74 -39.91 86.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.805 -1.184 . . . . 0.0 109.39 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -60.42 -43.08 97.11 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.771 -1.206 . . . . 0.0 108.9 179.346 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -92.62 85.0 5.14 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.162 -0.961 . . . . 0.0 109.288 179.161 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -70.14 -26.74 64.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.242 -0.911 . . . . 0.0 109.842 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.92 -41.38 96.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.115 -0.99 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.07 90.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 109.648 -179.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.6 ttm -60.92 -43.33 98.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 110.013 -179.521 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.64 93.16 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 109.681 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -64.77 -39.92 94.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.444 -0.785 . . . . 0.0 110.231 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.72 -40.04 95.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.956 . . . . 0.0 110.225 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -100.41 1.2 41.1 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.178 -0.951 . . . . 0.0 110.242 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.85 46.74 23.84 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.371 -0.831 . . . . 0.0 109.589 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.1 mt -118.99 151.62 50.66 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.0 Cg_endo -70.26 148.62 62.25 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.639 1.559 . . . . 0.0 111.342 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -41.6 -20.37 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.277 1.985 . . . . 0.0 112.74 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.7 t -60.08 -50.5 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 111.035 -178.146 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.58 -41.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 120.874 -1.141 . . . . 0.0 109.171 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.19 95.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.9 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.72 -37.53 86.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.059 -1.026 . . . . 0.0 110.058 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.92 -40.08 87.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.962 -1.086 . . . . 0.0 109.616 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 HD12 ' SD ' ' A' ' 22' ' ' MET . 94.6 mt -61.18 -40.02 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.842 -1.162 . . . . 0.0 108.784 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -40.1 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.853 . . . . 0.0 108.806 178.961 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.95 93.8 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.615 -0.678 . . . . 0.0 109.44 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -72.07 -39.95 68.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 109.678 -179.491 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 t -76.02 107.6 8.34 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.05 -39.83 87.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 109.943 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 -32.38 59.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.987 -1.07 . . . . 0.0 109.582 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.9 tt0 -79.41 -70.01 0.54 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 111.362 -177.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.36 114.45 11.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.097 -1.002 . . . . 0.0 110.38 -178.498 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -86.3 -45.72 10.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.319 178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.22 41.5 0.16 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.656 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.04 -23.92 65.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.168 -1.195 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.99 -163.44 0.09 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.514 -0.741 . . . . 0.0 110.073 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.7 ttp -146.72 -68.22 0.26 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.932 -179.4 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.644 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 14.4 t-80 58.18 -150.71 0.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.395 -0.815 . . . . 0.0 109.219 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.644 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . 93.69 -38.94 3.02 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -100.81 129.33 46.67 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.499 -1.001 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.2 t -106.31 120.67 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.551 -0.718 . . . . 0.0 109.107 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.584 -179.603 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.4 -40.02 85.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.441 -0.787 . . . . 0.0 110.069 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.78 -43.19 99.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.293 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -39.59 97.51 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.57 -40.0 83.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.62 -0.929 . . . . 0.0 110.414 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.98 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.929 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.75 -40.11 79.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.844 -1.16 . . . . 0.0 109.658 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.85 65.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.454 -0.779 . . . . 0.0 110.081 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.4 137.74 58.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.774 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -169.93 164.0 9.58 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.51 169.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.892 -1.13 . . . . 0.0 109.491 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -69.99 79.04 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.107 -0.996 . . . . 0.0 110.347 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -77.08 170.67 16.11 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.08 -27.92 69.43 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.55 -23.97 65.03 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.3 -0.875 . . . . 0.0 110.072 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.747 -1.22 . . . . 0.0 109.277 -179.196 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -60.46 -42.98 97.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 108.793 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -92.77 84.79 5.04 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 179.095 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -70.07 -26.57 64.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.0 109.874 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.89 -41.01 95.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.837 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.96 91.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.845 . . . . 0.0 109.651 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.429 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.9 ttm -61.08 -43.27 99.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.38 -0.825 . . . . 0.0 109.875 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.28 94.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.762 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -65.25 -40.03 93.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 110.197 -179.46 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.59 -40.01 95.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.96 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -100.25 1.43 41.77 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.294 -0.879 . . . . 0.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.48 46.82 24.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 109.642 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -118.99 151.42 50.39 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.419 -0.8 . . . . 0.0 108.867 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.5 Cg_endo -70.11 148.56 63.1 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.628 1.552 . . . . 0.0 111.407 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.59 -20.4 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.301 2.001 . . . . 0.0 112.688 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.6 t -60.02 -50.71 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.903 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.24 -41.8 81.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.868 -1.145 . . . . 0.0 109.129 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.26 95.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.354 -0.841 . . . . 0.0 109.826 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.67 -37.76 87.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.059 -1.026 . . . . 0.0 109.918 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -59.92 -40.08 87.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.931 -1.106 . . . . 0.0 109.455 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -60.91 -40.07 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.778 -1.202 . . . . 0.0 108.813 179.571 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.21 -40.01 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.28 -39.81 93.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.696 -0.628 . . . . 0.0 109.462 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -72.21 -39.96 68.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -0.954 . . . . 0.0 109.622 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.99 107.64 8.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 108.285 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.447 -0.783 . . . . 0.0 109.857 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.01 -40.08 87.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.378 -0.826 . . . . 0.0 110.034 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -75.84 -32.16 59.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.002 -1.061 . . . . 0.0 109.694 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.4 tt0 -79.55 -70.01 0.54 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 111.318 -177.899 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.54 114.36 11.69 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.103 -0.998 . . . . 0.0 110.33 -178.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -86.23 -45.7 11.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.476 -0.765 . . . . 0.0 109.27 178.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.24 41.17 0.16 Allowed Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.72 -23.8 66.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -1.187 . . . . 0.0 109.459 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.83 -163.5 0.09 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.503 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.4 ttp -146.66 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.851 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.728 ' CD2' ' H ' ' B' ' 52' ' ' GLY . 48.5 t60 58.13 -150.54 0.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.877 . . . . 0.0 109.218 -179.54 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.728 ' H ' ' CD2' ' B' ' 51' ' ' HIS . . . 93.55 -38.75 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -100.93 129.53 46.8 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -1.076 . . . . 0.0 109.461 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.4 120.72 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 118.095 -0.955 . . . . 0.0 108.578 -179.572 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.488 0.661 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.76 -42.44 98.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.705 -0.622 . . . . 0.0 111.031 -178.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.02 -40.61 98.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.929 -1.107 . . . . 0.0 109.83 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -40.06 98.23 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.66 -40.71 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.671 -0.899 . . . . 0.0 110.551 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -59.84 -46.59 88.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.797 -1.19 . . . . 0.0 110.022 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.16 -40.31 82.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.172 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -28.59 65.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.145 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.33 140.2 58.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.0 109.833 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.89 -179.79 5.45 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLU . 88.2 tt0 -61.44 152.1 30.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.666 -1.271 . . . . 0.0 109.898 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 64.4 t60 -64.02 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.61 0.719 . . . . 0.0 110.076 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.8 mt-10 -84.35 -165.64 1.22 Allowed 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.668 -0.645 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.12 -29.3 66.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.733 -0.604 . . . . 0.0 109.465 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.25 -32.49 68.41 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.426 -0.796 . . . . 0.0 109.919 -178.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -59.86 -40.23 87.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.681 -1.262 . . . . 0.0 108.463 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -47.15 85.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -93.04 82.17 4.59 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.05 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -69.68 -27.72 65.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.185 -0.947 . . . . 0.0 109.924 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.69 -40.3 94.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.039 -1.038 . . . . 0.0 110.419 -179.239 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.53 96.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -0.922 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.06 97.51 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.586 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -68.67 -39.84 80.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.83 -41.29 95.47 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.191 -0.943 . . . . 0.0 110.201 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -98.42 1.18 46.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.101 -1.0 . . . . 0.0 109.287 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 55.2 43.2 29.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.422 -0.799 . . . . 0.0 110.583 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 mt -111.85 150.24 42.01 Favored Pre-proline 0 N--CA 1.503 2.196 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 42.1 Cg_endo -68.77 148.96 72.48 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.416 1.41 . . . . 0.0 111.292 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.43 -20.4 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.072 1.848 . . . . 0.0 112.041 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' PRO . 74.2 t -59.62 -52.05 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.142 -0.974 . . . . 0.0 111.118 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.97 -41.42 81.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.894 -1.129 . . . . 0.0 109.192 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.68 93.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -63.77 -40.16 96.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.083 -1.011 . . . . 0.0 109.725 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -61.41 -41.03 96.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.945 -1.097 . . . . 0.0 110.096 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.99 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.76 -40.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.561 -0.712 . . . . 0.0 109.892 -179.06 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 m -70.37 -38.44 74.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.064 -1.022 . . . . 0.0 109.414 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.4 110.68 8.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.17 -0.956 . . . . 0.0 108.881 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.584 0.706 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -59.67 -39.63 85.1 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.01 -1.056 . . . . 0.0 109.479 -178.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.84 -47.47 21.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.097 -1.002 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -64.68 -60.13 3.46 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.322 -0.861 . . . . 0.0 110.863 -178.02 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.81 150.06 39.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.223 -0.923 . . . . 0.0 108.803 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -83.59 -9.85 58.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.394 -0.816 . . . . 0.0 109.662 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.87 -131.43 8.47 Favored Glycine 0 N--CA 1.497 2.722 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.98 139.75 45.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -1.153 . . . . 0.0 109.786 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 -57.95 0.35 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.27 -0.894 . . . . 0.0 108.904 179.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.6 tpp -61.66 140.32 58.18 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.444 ' CG ' ' O ' ' A' ' 51' ' ' HIS . 38.5 p-80 -67.25 112.22 4.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.962 -1.086 . . . . 0.0 109.151 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.65 -79.19 0.96 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -113.01 130.4 56.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.648 -0.913 . . . . 0.0 109.12 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -136.13 15.81 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.102 -0.999 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 10.0 p-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.32 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.631 0.729 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.96 -42.99 99.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.456 -0.777 . . . . 0.0 111.131 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.28 -41.44 98.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -0.953 . . . . 0.0 109.977 -179.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -39.92 97.92 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.53 -40.45 86.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.461 -1.023 . . . . 0.0 110.662 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.905 -1.122 . . . . 0.0 110.091 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -68.08 -40.2 82.74 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.755 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -29.4 65.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.352 -0.842 . . . . 0.0 109.916 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.14 140.28 57.93 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.465 -0.772 . . . . 0.0 109.352 -178.724 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -166.0 179.98 5.52 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 13' ' ' GLU . 88.5 tt0 -60.95 152.6 27.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.77 -1.206 . . . . 0.0 109.849 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 62.8 t60 -64.88 72.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.535 -0.728 . . . . 0.0 109.58 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 11' ' ' GLU . 60.6 mt-10 -85.86 -165.03 1.12 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.57 0.7 . . . . 0.0 109.482 179.607 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.96 -29.6 66.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.338 0.589 . . . . 0.0 109.48 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -56.85 -33.35 66.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.257 -0.902 . . . . 0.0 109.952 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -59.4 -40.61 87.15 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.91 -1.119 . . . . 0.0 108.748 179.467 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 57.8 p -62.08 -48.13 81.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.031 -1.043 . . . . 0.0 109.143 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.62 83.73 4.94 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.346 -0.846 . . . . 0.0 108.756 178.773 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.17 -28.63 65.48 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.292 -0.88 . . . . 0.0 109.776 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.19 -40.21 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.281 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.89 97.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.67 -1.269 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.94 -42.41 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.243 -0.91 . . . . 0.0 109.866 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.76 96.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.02 -1.05 . . . . 0.0 109.909 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -67.72 -40.47 84.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 109.943 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.57 -41.13 93.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.318 -0.863 . . . . 0.0 110.091 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -98.66 0.94 45.72 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.243 -0.91 . . . . 0.0 109.674 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 55.89 40.8 30.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.428 -0.795 . . . . 0.0 110.695 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -109.84 150.49 41.41 Favored Pre-proline 0 N--CA 1.501 2.101 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.0 Cg_endo -68.58 149.24 73.9 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.597 1.531 . . . . 0.0 111.178 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -43.33 -20.06 0.19 Allowed 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 121.756 1.637 . . . . 0.0 112.176 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.2 t -59.92 -51.54 71.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.199 -0.938 . . . . 0.0 110.901 -178.222 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.97 -40.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.925 -1.11 . . . . 0.0 109.198 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.12 91.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.189 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -63.08 -40.03 96.45 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.991 -1.068 . . . . 0.0 109.671 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.57 -41.2 97.05 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.943 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -40.69 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.81 -39.87 86.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.88 67.7 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.595 -0.691 . . . . 0.0 109.996 -178.799 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.0 m -71.0 -37.75 72.67 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 109.283 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -74.21 110.29 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.289 -0.882 . . . . 0.0 109.05 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -39.44 85.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.663 -0.648 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -59.85 -38.91 83.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.105 -0.997 . . . . 0.0 109.545 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.82 -47.07 19.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.727 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -65.02 -59.97 3.56 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.29 -0.881 . . . . 0.0 110.679 -177.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.63 150.43 39.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.312 -0.868 . . . . 0.0 109.02 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -9.35 58.68 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.236 -0.915 . . . . 0.0 109.384 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.86 -129.79 7.79 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -75.43 139.85 42.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -1.077 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.61 -56.73 0.31 Allowed 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 45.4 tpp -63.36 140.41 58.87 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' B' ' 51' ' ' HIS . 33.9 p-80 -67.06 111.78 4.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.096 -1.002 . . . . 0.0 109.553 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 -80.65 0.91 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -111.59 128.98 56.21 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.57 -0.959 . . . . 0.0 109.098 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -135.43 15.1 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 8.7 p-10 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.807 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.576 0.703 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.642 -0.661 . . . . 0.0 110.222 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.07 -40.36 94.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 0.0 110.551 -179.312 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.02 98.7 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.653 -1.779 . . . . 0.0 108.653 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.92 -40.05 82.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.556 -0.967 . . . . 0.0 109.998 -179.642 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.0 -50.09 75.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.38 -40.04 81.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.021 -1.05 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -23.91 63.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.638 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.96 140.11 58.35 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.934 -1.104 . . . . 0.0 109.769 -179.033 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.92 158.38 8.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.51 -0.744 . . . . 0.0 109.399 -179.348 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 43.0 tt0 -46.48 157.13 0.15 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 109.867 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 79.1 t60 -66.89 67.67 0.06 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 68.7 mm-40 -82.34 -165.32 0.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 0.0 109.968 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -69.99 -28.84 65.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -59.89 -33.71 72.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.927 . . . . 0.0 109.736 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.88 -40.58 89.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.844 -1.16 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.0 p -61.09 -43.04 99.49 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.889 -1.132 . . . . 0.0 108.356 179.133 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.63 81.52 3.88 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.366 -0.834 . . . . 0.0 109.296 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -69.94 -27.6 64.89 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.197 -0.94 . . . . 0.0 109.802 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.92 -40.11 91.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 109.784 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.09 99.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 109.788 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -62.15 -41.03 97.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.836 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.05 96.25 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.141 -0.974 . . . . 0.0 108.937 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -69.06 -40.17 78.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 110.055 -179.589 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -100.29 2.6 42.79 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.346 -0.846 . . . . 0.0 110.507 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.21 46.52 26.35 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -118.51 151.91 50.34 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.185 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.91 150.21 60.83 Favored 'Trans proline' 0 N--CA 1.49 1.312 0 C-N-CA 121.407 1.405 . . . . 0.0 111.083 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -42.44 -18.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.877 1.718 . . . . 0.0 111.842 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.3 t -60.12 -51.58 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.06 -1.025 . . . . 0.0 110.933 -178.321 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.03 -40.21 80.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.93 -1.106 . . . . 0.0 109.096 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.82 97.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.443 -0.786 . . . . 0.0 109.823 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -61.53 -40.08 93.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.021 -1.049 . . . . 0.0 110.275 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.11 -41.22 92.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.896 -1.128 . . . . 0.0 109.668 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.41 -40.15 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.021 -1.049 . . . . 0.0 108.548 179.517 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.06 -41.34 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.488 -0.757 . . . . 0.0 109.199 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.1 -31.52 69.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.336 -0.853 . . . . 0.0 109.466 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -73.18 -37.32 66.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.3 t -74.02 111.39 9.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.102 -0.999 . . . . 0.0 108.831 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.21 -39.98 88.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.97 -40.03 87.69 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 110.409 -179.22 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.57 -33.35 60.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.839 -1.163 . . . . 0.0 110.438 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -79.74 -70.18 0.53 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.18 -0.95 . . . . 0.0 110.948 -177.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.2 mt -76.39 124.65 27.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.058 . . . . 0.0 109.881 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 47' ' ' GLY . 7.1 ptmm? -96.65 119.25 34.78 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . 50.79 176.39 0.02 OUTLIER Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.659 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -86.33 150.75 24.12 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.176 -1.191 . . . . 0.0 110.095 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 142.42 58.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.468 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -170.0 131.72 1.05 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.62 ' H ' ' H ' ' B' ' 51' ' ' HIS . 75.0 t60 -60.09 -40.42 89.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.963 -1.085 . . . . 0.0 109.804 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.78 -162.88 12.24 Favored Glycine 0 N--CA 1.502 3.053 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.64 142.66 49.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.618 -0.931 . . . . 0.0 110.156 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' O ' HG22 ' A' ' 54' ' ' VAL . 13.8 p -99.38 -0.49 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.479 -0.763 . . . . 0.0 109.07 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.5 t0 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.542 -179.892 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.487 0.661 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.55 -40.2 93.83 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.637 -0.665 . . . . 0.0 110.327 -179.414 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.04 -40.22 94.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 110.523 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.0 98.68 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -40.11 82.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.726 -0.867 . . . . 0.0 110.101 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.02 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.211 -0.93 . . . . 0.0 110.442 -179.061 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -68.25 -39.99 82.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.923 -1.111 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.35 63.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.58 140.01 58.18 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.088 -1.008 . . . . 0.0 109.749 -179.152 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.88 158.7 9.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.523 -0.736 . . . . 0.0 109.25 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 42.6 tt0 -46.85 157.49 0.15 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.826 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.1 t60 -67.22 67.56 0.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 109.741 -179.383 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 67.7 mm-40 -82.33 -165.16 0.95 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.308 -0.87 . . . . 0.0 109.88 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.02 -28.72 65.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.388 -0.82 . . . . 0.0 109.629 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -59.79 -33.96 72.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.524 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.03 -40.4 89.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.636 -1.29 . . . . 0.0 108.787 -179.444 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -61.15 -43.2 99.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.939 -1.101 . . . . 0.0 108.475 179.059 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -94.23 81.84 4.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.212 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.206 -0.934 . . . . 0.0 109.88 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -60.76 -40.09 91.19 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.48 -41.01 98.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.915 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.17 96.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.069 -1.02 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -68.93 -40.12 79.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.186 -0.946 . . . . 0.0 109.738 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -61.61 -40.0 93.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.266 -0.896 . . . . 0.0 109.94 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.11 2.31 43.03 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.36 -0.838 . . . . 0.0 110.53 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 53.49 46.32 26.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 110.362 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.4 151.74 49.95 Favored Pre-proline 0 N--CA 1.504 2.274 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.7 Cg_endo -70.73 150.01 61.59 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.482 1.455 . . . . 0.0 111.179 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -42.14 -18.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.836 1.691 . . . . 0.0 111.753 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.0 t -59.68 -51.74 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.045 -1.035 . . . . 0.0 111.087 -178.279 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.29 -39.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.076 -1.015 . . . . 0.0 109.183 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.71 97.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.425 -0.797 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -61.84 -39.82 93.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.03 -41.57 92.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.557 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.18 -40.06 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.959 -1.088 . . . . 0.0 108.666 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.1 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.456 -0.777 . . . . 0.0 109.305 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.63 69.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -73.17 -37.47 66.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.451 -0.781 . . . . 0.0 109.516 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -73.96 111.19 8.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.176 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.09 -39.94 87.87 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 110.171 -179.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.82 -33.23 60.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.879 -1.138 . . . . 0.0 110.487 -179.487 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -79.86 -70.01 0.55 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 110.947 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.63 124.39 27.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.152 -0.968 . . . . 0.0 109.924 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 47' ' ' GLY . 7.3 ptmm? -96.49 119.37 34.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 109.437 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . 50.58 176.46 0.02 OUTLIER Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -86.12 150.84 24.14 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.161 -1.2 . . . . 0.0 110.016 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 141.8 58.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.407 -0.808 . . . . 0.0 109.603 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.24 131.76 1.23 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.292 -0.88 . . . . 0.0 108.695 -179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.62 ' H ' ' H ' ' A' ' 51' ' ' HIS . 72.5 t60 -59.96 -40.47 89.13 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.953 -1.092 . . . . 0.0 109.781 -179.73 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.33 -162.8 12.25 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -71.35 142.63 50.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.484 -1.009 . . . . 0.0 110.217 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.464 ' O ' HG22 ' B' ' 54' ' ' VAL . 14.4 p -100.01 0.06 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.417 -179.938 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.455 0.645 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.81 -40.43 92.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.0 110.089 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.02 -40.3 96.03 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.311 -179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -33.31 73.06 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.48 -39.22 80.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.613 -0.934 . . . . 0.0 110.093 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.17 -46.87 88.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.094 -1.004 . . . . 0.0 109.443 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -68.95 -40.51 78.89 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.754 -0.779 . . . . 0.0 110.118 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.34 68.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.875 . . . . 0.0 110.333 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -61.27 140.13 58.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 110.35 -178.533 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.39 172.79 4.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 13' ' ' GLU . 78.4 mm-40 -54.99 162.25 1.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 -179.297 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -65.32 72.57 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.475 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.8 tt0 -79.21 169.96 17.35 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -27.62 69.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 108.79 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.64 -26.17 61.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.201 -0.937 . . . . 0.0 109.09 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -60.21 -39.94 88.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.034 -1.041 . . . . 0.0 108.556 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.38 -41.39 97.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.961 -1.087 . . . . 0.0 109.062 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -92.73 83.56 4.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 108.961 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.1 p-90 -70.31 -25.95 63.56 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.471 -0.768 . . . . 0.0 109.495 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -61.14 -39.22 89.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.828 . . . . 0.0 109.804 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.49 97.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.433 ' SD ' HD12 ' A' ' 36' ' ' ILE . 37.4 ttm -60.37 -47.87 84.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.225 -0.922 . . . . 0.0 109.653 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.56 -40.17 96.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.147 -0.971 . . . . 0.0 109.41 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 t -68.91 -40.25 79.23 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.413 -0.804 . . . . 0.0 109.965 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.58 -40.14 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.16 -0.963 . . . . 0.0 109.935 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.41 -0.27 26.22 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.212 -0.93 . . . . 0.0 110.46 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.85 41.61 32.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.248 -0.907 . . . . 0.0 110.453 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 mt -107.18 136.43 19.51 Favored Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.125 -0.984 . . . . 0.0 108.678 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_exo -44.91 142.65 5.06 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.488 1.459 . . . . 0.0 111.393 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.83 -17.35 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.864 1.709 . . . . 0.0 112.292 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' PRO . 96.0 t -59.63 -50.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.877 -178.457 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.69 -45.63 91.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.896 -1.127 . . . . 0.0 108.886 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.91 -48.23 82.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.907 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.38 -39.28 92.67 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.998 -1.064 . . . . 0.0 110.418 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -60.82 -40.27 92.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.274 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.3 mt -64.76 -40.24 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.933 -1.104 . . . . 0.0 108.852 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 33' ' ' ALA . 67.3 t -62.73 -40.31 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.354 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -29.73 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 110.067 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -73.66 -34.04 64.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.131 -0.98 . . . . 0.0 109.954 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.79 116.53 15.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.002 -1.061 . . . . 0.0 108.316 179.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.64 -39.84 89.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.314 -0.866 . . . . 0.0 109.947 -179.021 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.98 -39.48 89.81 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 110.007 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.0 m -76.21 -38.79 55.99 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.987 -1.071 . . . . 0.0 110.475 -179.212 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -77.96 -70.09 0.5 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.425 -0.797 . . . . 0.0 109.761 -177.77 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.21 124.98 26.7 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.139 -0.976 . . . . 0.0 108.855 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -93.5 124.95 37.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.098 -1.001 . . . . 0.0 109.492 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.9 -144.36 35.11 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -92.61 136.71 32.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.232 -1.158 . . . . 0.0 108.812 179.617 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.86 56.05 0.63 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.333 -0.854 . . . . 0.0 109.389 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.4 ptm -170.0 169.82 7.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.611 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CD2' ' CD2' ' B' ' 51' ' ' HIS . 11.7 t-160 -57.39 135.89 56.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.043 -1.035 . . . . 0.0 109.006 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.3 -160.9 11.32 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.549 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -65.16 142.43 58.35 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.399 -1.059 . . . . 0.0 110.139 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.6 m -98.86 140.54 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.42 -0.8 . . . . 0.0 109.641 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' OXT' ' A' ' 55' ' ' ASP . 9.4 t70 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.315 0.579 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.45 -40.55 94.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.81 -40.23 96.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.396 -0.815 . . . . 0.0 110.396 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 -33.48 68.17 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -67.8 -39.63 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.487 -1.007 . . . . 0.0 109.696 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.55 -46.98 87.29 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.576 -179.132 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -68.89 -40.07 79.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.376 -0.827 . . . . 0.0 109.977 -179.284 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.85 67.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.294 -0.879 . . . . 0.0 110.341 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -61.84 140.18 58.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.0 110.584 -178.385 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -172.82 174.4 3.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' B' ' 13' ' ' GLU . 77.4 mm-40 -56.95 162.1 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.0 109.802 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.94 72.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.119 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 11' ' ' GLU . 62.5 tt0 -79.25 171.01 15.78 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.08 -27.69 69.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 108.661 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -56.79 -26.92 58.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.152 -0.968 . . . . 0.0 108.991 179.383 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -59.87 -40.27 88.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.864 -1.147 . . . . 0.0 108.722 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -61.52 -40.39 94.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.986 -1.071 . . . . 0.0 109.296 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -93.26 83.33 4.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.27 -0.894 . . . . 0.0 109.28 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -70.05 -26.18 63.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.024 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -60.96 -39.9 91.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.349 -0.844 . . . . 0.0 109.682 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.71 94.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.245 -0.909 . . . . 0.0 109.264 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.414 ' SD ' HD12 ' B' ' 36' ' ' ILE . 38.6 ttm -60.22 -48.96 79.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 109.651 179.523 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -61.59 -40.01 93.26 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.317 -0.865 . . . . 0.0 109.414 -179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -69.09 -40.05 78.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.868 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.85 -40.83 94.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.118 -0.989 . . . . 0.0 110.013 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -105.02 -0.5 26.74 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.309 -0.869 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.06 40.86 32.06 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.21 -0.931 . . . . 0.0 110.72 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.28 135.92 19.41 Favored Pre-proline 0 N--CA 1.504 2.247 0 O-C-N 121.131 -0.98 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' B' ' 31' ' ' VAL . 86.3 Cg_exo -44.44 142.77 4.26 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.446 1.431 . . . . 0.0 111.536 179.331 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -42.13 -17.24 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.926 1.751 . . . . 0.0 112.054 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.0 t -59.79 -50.52 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 110.661 -178.322 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.77 -45.74 90.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.008 -1.057 . . . . 0.0 109.041 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.84 -48.52 81.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 110.039 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.79 -39.69 92.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 110.199 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.56 -39.96 89.9 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.797 -179.312 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.414 HD12 ' SD ' ' B' ' 22' ' ' MET . 82.8 mt -65.46 -39.98 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.862 -1.149 . . . . 0.0 108.807 179.677 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 33' ' ' ALA . 80.9 t -62.82 -39.94 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.9 67.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.507 -0.746 . . . . 0.0 110.266 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -74.82 -33.53 62.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.071 -1.018 . . . . 0.0 109.826 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 t -74.04 116.71 14.98 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.015 -1.053 . . . . 0.0 108.454 179.212 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 0.0 109.86 -179.104 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.07 -39.67 93.19 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.467 -0.77 . . . . 0.0 110.254 -178.844 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.6 -39.03 58.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.868 -1.145 . . . . 0.0 110.27 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -77.16 -70.02 0.49 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.534 -0.729 . . . . 0.0 110.113 -177.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.4 mt -74.76 123.54 25.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.099 -1.001 . . . . 0.0 109.023 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -91.71 124.81 36.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.095 -1.003 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.4 -143.08 35.42 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -93.5 136.54 33.68 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -1.178 . . . . 0.0 108.884 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.75 54.96 0.64 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.48 -0.762 . . . . 0.0 109.444 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 18.1 ptm -170.01 170.5 7.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.421 -0.799 . . . . 0.0 109.406 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.426 ' CD2' ' CD2' ' A' ' 51' ' ' HIS . 11.6 t-160 -58.18 137.44 57.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.094 -1.004 . . . . 0.0 109.253 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.95 -162.59 11.65 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.63 144.31 56.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.378 -1.072 . . . . 0.0 109.853 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -100.33 140.34 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.561 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.104 -0.998 . . . . 0.0 109.619 -179.829 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.632 0.73 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.6 -40.05 90.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.537 -0.727 . . . . 0.0 109.932 -178.821 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.33 -40.6 97.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.142 -0.974 . . . . 0.0 110.175 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -36.58 92.44 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.712 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.43 -40.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.429 -1.042 . . . . 0.0 110.398 -179.421 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -52.53 64.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.025 -1.047 . . . . 0.0 109.922 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -69.66 -39.99 76.71 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.515 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.42 76.33 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.693 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.89 134.54 56.38 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -148.34 -164.99 2.15 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.915 -1.116 . . . . 0.0 109.433 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' GLU . 37.4 tt0 -72.27 148.43 45.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.176 -0.953 . . . . 0.0 109.161 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 69.7 t60 -67.45 69.99 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.302 -0.874 . . . . 0.0 109.169 -179.813 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 tp10 -100.95 -151.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.514 -0.742 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' GLU . 44.1 mtpt -70.41 -28.82 65.37 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.572 -0.705 . . . . 0.0 109.862 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.57 -39.77 85.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.252 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -59.84 -40.22 87.78 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.851 -1.156 . . . . 0.0 108.475 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -61.69 -40.9 96.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.945 -1.097 . . . . 0.0 109.558 179.807 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.89 85.48 3.79 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -70.06 -26.49 64.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.51 -39.92 89.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.127 -0.983 . . . . 0.0 109.154 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.52 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.062 -1.024 . . . . 0.0 109.005 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.7 ttm -60.0 -48.81 80.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.433 -0.792 . . . . 0.0 109.762 -179.211 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -61.33 -45.47 94.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.324 -0.86 . . . . 0.0 109.447 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.203 -0.936 . . . . 0.0 109.86 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -62.36 -42.33 99.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.637 -0.664 . . . . 0.0 110.669 -178.446 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -103.5 2.24 33.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.501 -0.749 . . . . 0.0 110.137 -178.663 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.7 m120 56.13 42.18 28.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.531 -0.731 . . . . 0.0 110.538 179.168 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 69.9 mt -111.9 150.23 42.03 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.961 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.7 Cg_endo -66.42 148.16 83.67 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 121.56 1.507 . . . . 0.0 111.269 -179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.01 -20.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.43 2.087 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.7 t -59.69 -50.22 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 110.449 -178.073 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.49 -42.13 83.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 120.896 -1.128 . . . . 0.0 109.11 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.39 74.44 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.561 -0.855 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.8 -39.83 95.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 110.375 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.81 -41.59 95.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.835 -1.166 . . . . 0.0 109.585 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.69 -40.25 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.015 -1.053 . . . . 0.0 108.534 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.19 -39.67 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.642 -0.661 . . . . 0.0 109.265 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.68 67.92 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.31 -0.869 . . . . 0.0 109.642 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.7 m -69.93 -37.29 75.84 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.72 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.8 t -73.58 110.97 8.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.958 . . . . 0.0 109.563 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.93 -40.26 88.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.29 -39.4 86.77 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.106 -0.996 . . . . 0.0 109.755 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.7 m -78.41 -21.25 49.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.237 -0.915 . . . . 0.0 110.077 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -77.05 -69.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.12 -0.987 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.8 107.98 9.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.125 -0.984 . . . . 0.0 109.37 -179.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -96.28 126.04 41.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.211 -0.931 . . . . 0.0 110.022 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 -11.51 40.0 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 49.16 86.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.242 . . . . 0.0 109.943 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -66.4 143.35 57.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 179.339 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.6 ttm -167.04 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.521 -0.737 . . . . 0.0 109.048 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -120.76 119.16 31.95 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.68 -76.69 1.19 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.088 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -155.14 160.86 41.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -1.145 . . . . 0.0 109.704 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 54' ' ' VAL . 11.3 p -104.32 129.62 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.269 -0.894 . . . . 0.0 109.816 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.676 -179.953 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.09 -40.31 93.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.626 -0.671 . . . . 0.0 109.582 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.39 -41.77 98.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.301 -0.875 . . . . 0.0 110.439 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.62 92.25 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.64 -41.01 87.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.421 -1.047 . . . . 0.0 110.34 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.32 -52.02 67.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.966 -1.084 . . . . 0.0 110.28 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.44 -40.63 77.1 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.336 -0.852 . . . . 0.0 109.12 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.29 78.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.473 -0.767 . . . . 0.0 110.299 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.05 132.6 51.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.813 -1.179 . . . . 0.0 109.039 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -145.37 -164.9 2.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.118 -0.989 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.4 tt0 -72.91 146.94 45.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.979 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 65.0 t60 -66.25 70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 109.041 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 11' ' ' GLU . 3.9 tp10 -101.91 -151.63 0.42 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 49.8 mtpt -70.38 -28.81 65.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.92 -39.41 85.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 0.0 110.14 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -59.75 -40.03 86.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.782 -1.199 . . . . 0.0 108.683 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.0 p -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.978 -1.076 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -95.21 85.49 4.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.043 . . . . 0.0 109.696 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -70.04 -27.1 64.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.266 -0.897 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.06 -40.38 89.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.852 -1.155 . . . . 0.0 109.189 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.17 87.23 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.117 -0.99 . . . . 0.0 109.192 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.2 -49.83 76.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 -179.329 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.14 -44.58 94.85 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -40.34 95.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.358 -0.839 . . . . 0.0 109.954 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 25' ' ' ASP . 56.1 t0 -62.54 -40.51 97.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 110.639 -178.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -105.1 2.67 29.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.395 -0.816 . . . . 0.0 109.844 -179.028 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.3 m120 55.29 42.62 30.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 0.0 110.379 178.883 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 70.1 mt -112.34 150.91 43.28 Favored Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.405 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.1 Cg_endo -66.34 147.8 83.51 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.763 1.642 . . . . 0.0 111.253 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.02 -20.58 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.284 1.99 . . . . 0.0 112.638 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' B' ' 29' ' ' PRO . 71.6 t -59.41 -51.43 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.079 -1.013 . . . . 0.0 110.37 -178.273 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.46 -42.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.63 76.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.393 -0.817 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.04 -1.038 . . . . 0.0 109.815 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.95 -40.89 95.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.005 -1.059 . . . . 0.0 109.692 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 108.676 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.38 -39.21 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.419 -0.801 . . . . 0.0 109.393 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.51 68.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.3 m -70.54 -37.85 74.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.374 -0.829 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.64 111.15 7.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.005 -1.059 . . . . 0.0 109.219 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.22 -40.36 89.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.387 -0.82 . . . . 0.0 110.549 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.46 -40.33 86.55 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 109.86 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 86.1 m -78.42 -20.07 51.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 0.0 110.206 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -77.2 -69.53 0.52 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.099 -1.001 . . . . 0.0 110.727 -178.016 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.02 109.05 10.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.208 -0.932 . . . . 0.0 109.472 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -96.98 125.56 41.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.367 -0.833 . . . . 0.0 110.753 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.02 -11.86 33.42 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 51.47 87.29 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -1.183 . . . . 0.0 110.293 179.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -66.91 140.08 57.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.05 . . . . 0.0 109.199 179.497 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 50.2 ttm -164.12 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.444 -0.785 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -121.62 119.81 32.94 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.323 -0.861 . . . . 0.0 109.798 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.72 -77.5 1.2 Allowed Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -154.08 159.29 41.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.194 -1.18 . . . . 0.0 109.659 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.44 ' O ' HG13 ' B' ' 54' ' ' VAL . 12.1 p -102.78 131.88 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 O-C-N 121.328 -0.857 . . . . 0.0 109.39 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.178 -0.951 . . . . 0.0 110.086 -179.443 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.175 0.512 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.27 -40.27 93.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.343 -0.848 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.15 -45.36 88.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 110.019 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.1 -38.73 94.79 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.75 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.433 -1.04 . . . . 0.0 110.28 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.11 -48.93 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.948 -1.095 . . . . 0.0 109.857 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.68 -40.06 80.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.114 -0.991 . . . . 0.0 109.125 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -30.22 67.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.664 -0.648 . . . . 0.0 110.261 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -62.55 135.37 57.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 109.573 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -159.4 162.73 35.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.646 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 39.8 tt0 -46.53 156.45 0.18 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.262 -0.899 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 79.3 t60 -65.19 66.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 56.3 tt0 -80.46 176.35 9.86 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.691 -0.631 . . . . 0.0 109.82 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 97.2 mttt -62.64 -26.72 68.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 0.0 109.189 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -58.09 -30.33 66.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -59.93 -40.77 90.06 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.641 -1.287 . . . . 0.0 109.236 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -61.58 -41.24 97.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.984 -1.072 . . . . 0.0 108.582 179.397 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -93.0 81.19 4.57 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -69.93 -25.69 63.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 109.715 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -60.07 -41.02 91.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.816 -178.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.32 99.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.127 -0.983 . . . . 0.0 109.335 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -64.77 -41.25 96.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.73 -40.18 94.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.271 -0.893 . . . . 0.0 109.147 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 t -69.07 -39.95 78.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.533 -0.73 . . . . 0.0 109.943 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.74 -39.93 93.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.505 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -100.1 0.4 40.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.0 109.888 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.8 m120 52.32 46.96 25.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.17 -0.956 . . . . 0.0 110.259 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.75 151.37 44.6 Favored Pre-proline 0 N--CA 1.499 1.997 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.262 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.9 Cg_endo -70.2 149.54 64.25 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 121.524 1.483 . . . . 0.0 110.835 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.74 -20.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.84 1.693 . . . . 0.0 112.364 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' PRO . 97.7 t -56.48 -58.63 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.838 -1.164 . . . . 0.0 110.634 -178.835 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.64 -42.16 94.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.144 -0.973 . . . . 0.0 109.173 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.61 95.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.833 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.18 -40.03 95.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 109.638 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 2.8 tm-20 -60.94 -40.53 93.6 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.2 -39.98 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.042 . . . . 0.0 109.122 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.04 -39.89 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.63 69.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.578 -0.701 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 75.6 m -70.35 -39.54 74.59 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.215 -0.928 . . . . 0.0 109.156 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -76.11 109.45 9.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.911 . . . . 0.0 109.376 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.68 -39.88 90.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.426 -0.796 . . . . 0.0 111.089 -179.741 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.43 -39.87 84.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.983 -1.073 . . . . 0.0 109.274 -178.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 72.6 m -76.92 -34.52 57.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 0.0 110.121 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -79.81 -71.39 0.45 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.162 -0.961 . . . . 0.0 111.694 -177.681 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.32 130.63 41.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.129 -0.982 . . . . 0.0 110.286 -178.196 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.01 145.01 26.21 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.009 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 171.74 48.78 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 60.32 23.22 12.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.388 -1.066 . . . . 0.0 109.537 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.93 84.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.806 -1.184 . . . . 0.0 109.01 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.5 mtt -92.57 151.19 20.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.3 m80 66.65 -166.95 0.21 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.592 0.71 . . . . 0.0 110.307 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.72 -155.57 26.3 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -70.21 140.29 52.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -1.126 . . . . 0.0 109.55 179.927 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' VAL . 17.9 m -99.33 1.9 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.189 -0.944 . . . . 0.0 110.293 -179.239 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.297 -1.716 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.241 -179.921 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.3 0.572 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.17 -40.59 94.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 0.0 110.236 -179.404 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.05 -45.44 88.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.149 -0.97 . . . . 0.0 110.005 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -38.94 94.84 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.84 -40.18 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.452 -1.028 . . . . 0.0 110.49 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.03 -49.23 78.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.027 -1.046 . . . . 0.0 109.87 -179.044 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.37 -40.16 81.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.7 -30.09 67.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.671 -0.643 . . . . 0.0 110.434 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -62.56 135.39 57.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.065 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -159.25 163.06 36.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.0 109.669 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.7 tt0 -47.18 156.38 0.24 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.114 -0.991 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.2 t60 -65.01 66.65 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.203 -0.936 . . . . 0.0 109.62 -179.231 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.7 tt0 -80.58 176.44 9.79 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.343 0.592 . . . . 0.0 109.781 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 97.7 mttt -62.79 -26.65 68.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.849 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -58.31 -30.11 66.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 0.0 109.981 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -59.99 -40.82 90.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.636 -1.29 . . . . 0.0 109.195 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.54 -41.16 96.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.869 -1.144 . . . . 0.0 108.658 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -92.97 80.75 4.58 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.77 -25.66 63.91 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.616 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -60.03 -40.8 90.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.162 -0.961 . . . . 0.0 110.021 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.272 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 54.4 ttp -64.9 -41.1 95.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 0.0 109.743 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.166 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -69.47 -40.02 77.37 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.49 -40.09 93.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.0 109.569 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -99.93 0.33 40.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.295 -0.878 . . . . 0.0 109.874 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 52.35 46.96 25.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.249 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -113.75 151.32 44.56 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.8 Cg_endo -70.18 149.55 64.37 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 121.571 1.514 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -40.6 -20.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.964 1.776 . . . . 0.0 112.413 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 29' ' ' PRO . 89.5 t -56.24 -58.75 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 110.726 -178.874 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.58 -42.12 94.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.168 -0.958 . . . . 0.0 109.165 -179.064 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.61 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.288 -0.883 . . . . 0.0 109.923 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.23 -39.94 95.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.612 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 2.8 tm-20 -61.19 -40.32 93.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.136 -0.978 . . . . 0.0 110.191 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.17 -40.15 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.017 -1.052 . . . . 0.0 109.004 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.0 -39.85 86.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.55 -30.65 69.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.576 -0.702 . . . . 0.0 109.521 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 74.7 m -70.32 -39.49 74.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -0.955 . . . . 0.0 109.219 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.28 109.48 10.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.267 -0.896 . . . . 0.0 109.402 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.64 -39.91 90.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.776 . . . . 0.0 110.976 -179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.47 -39.93 85.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.932 -1.105 . . . . 0.0 109.317 -178.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 70.9 m -76.74 -34.46 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 110.21 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 -79.92 -71.11 0.47 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 111.823 -177.724 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.66 130.74 41.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.115 -0.991 . . . . 0.0 110.235 -178.233 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.27 145.0 26.09 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.131 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.3 172.17 47.96 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 60.16 23.07 12.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -1.092 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.4 85.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.831 -1.168 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.4 mtt -92.2 151.16 20.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.411 -0.806 . . . . 0.0 109.767 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m80 66.81 -167.31 0.21 Allowed 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.547 0.689 . . . . 0.0 110.296 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.28 -155.59 26.36 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.496 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 0.9 OUTLIER -70.32 140.3 52.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.126 -1.22 . . . . 0.0 109.414 179.854 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.39 2.22 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 110.249 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.298 -1.658 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.126 -179.84 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.29 0.566 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.26 -40.47 90.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.189 -0.944 . . . . 0.0 110.8 -179.373 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.72 -43.5 97.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.108 -0.995 . . . . 0.0 110.357 -178.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -33.74 88.08 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.32 -39.77 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.469 -1.018 . . . . 0.0 110.321 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -60.54 -50.2 74.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.711 -1.243 . . . . 0.0 109.879 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.2 -40.82 94.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.637 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.07 68.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.57 -0.706 . . . . 0.0 110.354 -179.496 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.14 138.8 58.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.243 -0.911 . . . . 0.0 110.489 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.93 -178.6 4.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.439 -0.788 . . . . 0.0 109.741 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 64.8 mm-40 -61.72 150.68 36.03 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.342 -0.849 . . . . 0.0 108.855 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 12' ' ' HIS . 72.1 t60 -65.96 77.64 0.08 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.9 mm-40 -96.02 -164.8 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.647 0.737 . . . . 0.0 109.838 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.38 -27.59 65.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.691 -0.631 . . . . 0.0 109.847 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -59.77 -32.46 70.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 109.609 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.34 -39.7 88.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.953 -1.092 . . . . 0.0 109.07 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 p -61.8 -42.15 98.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.591 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -93.44 89.51 6.34 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.139 -0.975 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -70.53 -28.35 64.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.065 -1.022 . . . . 0.0 109.862 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.178 -0.951 . . . . 0.0 109.785 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.07 93.71 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.228 -0.92 . . . . 0.0 109.774 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 110.191 -179.256 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.24 -42.4 99.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.128 -0.983 . . . . 0.0 109.856 -179.332 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -69.09 -40.06 78.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.402 -0.811 . . . . 0.0 109.949 -179.672 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.34 -40.54 91.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.897 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -106.11 1.45 26.3 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.698 -0.626 . . . . 0.0 110.245 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' ALA . 92.9 m-20 54.21 44.92 28.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.213 -0.93 . . . . 0.0 110.539 179.667 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 65.5 mt -113.49 150.88 43.91 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.8 Cg_endo -67.55 149.38 79.69 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.748 1.632 . . . . 0.0 111.482 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.81 -21.15 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.271 1.981 . . . . 0.0 112.82 -179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.4 t -59.06 -54.22 37.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 120.971 -1.081 . . . . 0.0 110.65 -178.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.19 -42.05 90.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.791 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.96 81.56 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.388 -0.82 . . . . 0.0 109.938 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.986 -1.071 . . . . 0.0 110.007 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.1 -41.04 91.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.89 -1.131 . . . . 0.0 109.19 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.79 -40.53 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.801 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.08 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.53 -30.03 68.74 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.733 -0.605 . . . . 0.0 109.46 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -71.31 -39.09 71.65 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.321 -0.862 . . . . 0.0 109.165 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.5 t -73.71 111.68 9.08 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.284 -0.885 . . . . 0.0 109.01 178.868 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.81 -40.19 91.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 110.274 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.73 -39.92 86.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.425 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 62.1 m -76.49 -32.35 58.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.888 -1.132 . . . . 0.0 109.819 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.44 -75.53 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.342 -0.848 . . . . 0.0 110.486 -178.333 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.88 132.76 43.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.256 -0.903 . . . . 0.0 109.666 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -89.04 -18.59 27.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.276 -0.89 . . . . 0.0 109.067 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.42 152.39 6.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -88.78 131.76 34.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.238 -1.154 . . . . 0.0 109.291 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.93 154.39 20.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -159.15 -1.25 0.08 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.035 -1.041 . . . . 0.0 110.346 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -132.99 136.82 46.28 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.394 -0.816 . . . . 0.0 109.493 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.55 -116.31 0.37 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -74.09 152.08 40.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.076 -1.249 . . . . 0.0 109.539 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.575 ' O ' HG22 ' A' ' 54' ' ' VAL . 6.7 p -92.42 6.12 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 121.727 0.775 . . . . 0.0 109.223 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.361 179.495 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.421 0.629 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.43 -41.0 96.5 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.472 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.07 -42.79 95.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 110.753 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -34.02 88.79 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.24 -40.45 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -1.083 . . . . 0.0 110.19 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.39 -49.52 77.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.591 -1.318 . . . . 0.0 109.895 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.57 -40.51 92.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 0.0 109.854 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.71 66.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.656 -0.653 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.56 138.12 57.84 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.218 -0.926 . . . . 0.0 109.97 -178.657 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.8 -177.03 4.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.0 109.692 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 13' ' ' GLU . 67.3 mm-40 -62.33 150.07 40.46 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.288 -0.882 . . . . 0.0 109.325 -179.842 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 71.6 t60 -65.83 77.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.3 mm-40 -97.22 -165.42 1.26 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.513 -0.742 . . . . 0.0 109.656 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.08 -27.86 65.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.593 -0.692 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -58.33 -33.83 69.94 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.0 109.168 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -59.31 -40.81 87.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.675 -1.266 . . . . 0.0 108.589 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -59.87 -43.98 94.41 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.911 -1.118 . . . . 0.0 109.884 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.31 92.07 7.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.938 -1.101 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -72.01 -26.81 62.37 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 110.13 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.07 -39.54 90.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.11 -0.994 . . . . 0.0 109.435 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.58 96.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.105 -0.997 . . . . 0.0 109.707 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.6 ttm -62.62 -43.66 98.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.882 . . . . 0.0 110.042 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.59 -42.02 99.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.983 . . . . 0.0 109.732 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -68.92 -39.7 79.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.591 -0.693 . . . . 0.0 110.01 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.45 -40.97 96.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.139 -0.976 . . . . 0.0 109.684 -178.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.03 2.85 29.93 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.581 -0.699 . . . . 0.0 110.177 -179.327 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 23' ' ' ALA . 91.1 m-20 52.89 46.2 27.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.149 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 63.1 mt -115.81 150.23 44.54 Favored Pre-proline 0 N--CA 1.502 2.147 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.042 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.6 Cg_endo -66.8 146.73 79.34 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.746 1.631 . . . . 0.0 111.806 -179.574 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -39.74 -21.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.252 1.968 . . . . 0.0 112.356 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.8 t -58.07 -55.6 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.164 -0.96 . . . . 0.0 110.076 -178.411 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.45 -41.6 91.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.021 -1.049 . . . . 0.0 109.221 -179.573 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.41 86.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.046 -1.034 . . . . 0.0 109.758 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.5 -39.33 91.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.888 -1.132 . . . . 0.0 110.106 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.71 -40.88 93.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.114 . . . . 0.0 108.988 -179.437 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.42 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.198 -0.939 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.54 -40.21 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.367 -0.833 . . . . 0.0 108.757 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.23 69.0 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.722 -0.612 . . . . 0.0 109.523 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -71.73 -39.68 69.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.455 -0.778 . . . . 0.0 109.36 -179.302 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.66 111.24 8.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.108 -0.995 . . . . 0.0 108.445 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -60.0 -39.82 87.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.343 -0.848 . . . . 0.0 110.495 -179.299 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.07 -39.63 86.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 110.303 -178.044 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.53 -32.53 58.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.025 -1.047 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -75.36 -75.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.518 -0.739 . . . . 0.0 110.439 -178.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 70.7 mt -72.61 133.38 44.66 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.097 -1.002 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.4 -20.37 24.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.462 -0.774 . . . . 0.0 109.293 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.41 151.21 6.06 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -87.58 129.33 35.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -1.211 . . . . 0.0 109.055 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.24 156.82 20.8 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.851 . . . . 0.0 108.828 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -162.13 4.37 0.05 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 109.696 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -137.63 139.2 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.07 -116.99 0.43 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 179.233 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -71.88 153.46 41.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.133 -1.216 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.597 ' O ' HG22 ' B' ' 54' ' ' VAL . 6.8 p -95.31 6.41 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.234 -0.916 . . . . 0.0 109.144 -179.599 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.378 179.84 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.21 -41.54 98.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.42 -0.8 . . . . 0.0 110.593 -179.457 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.37 -41.83 96.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.114 -0.991 . . . . 0.0 110.082 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -36.56 93.58 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -68.01 -40.12 82.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.586 -0.949 . . . . 0.0 110.299 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -59.79 -45.89 90.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.052 -1.03 . . . . 0.0 109.699 -179.155 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.72 -40.88 75.96 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.054 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.479 -0.763 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.27 138.84 58.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.995 -1.066 . . . . 0.0 109.693 -178.26 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -165.0 -175.09 3.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.011 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -62.69 159.73 15.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.11 -0.994 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 74.3 t60 -71.74 86.85 0.95 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.1 -179.354 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -101.13 -166.64 1.33 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.397 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -70.26 -25.81 63.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.377 -0.827 . . . . 0.0 108.849 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.96 -34.41 73.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.643 -0.661 . . . . 0.0 109.866 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -58.82 -39.12 80.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.885 -1.135 . . . . 0.0 108.985 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -60.37 -43.79 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.858 -1.151 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -94.49 90.84 6.35 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.022 -1.049 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -71.4 -22.82 61.81 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.697 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -63.64 -39.82 95.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.164 -178.93 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.11 94.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 ttm -62.46 -45.83 91.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.786 -179.617 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.47 -41.86 98.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 109.587 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -65.61 -40.37 92.54 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.138 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -64.24 -40.12 95.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 110.881 -179.183 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.29 1.43 38.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.25 -0.906 . . . . 0.0 110.319 -179.263 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.48 49.06 20.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 53.4 mt -117.68 152.58 49.97 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 150.91 68.73 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.04 1.827 . . . . 0.0 111.488 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -44.25 -20.65 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.88 1.72 . . . . 0.0 112.402 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.06 -50.19 81.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.67 -44.42 82.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 120.773 -1.204 . . . . 0.0 109.314 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.42 96.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.258 -0.901 . . . . 0.0 109.948 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -65.29 -40.21 93.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.953 -1.092 . . . . 0.0 109.804 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.16 -41.46 96.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.899 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.96 -40.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.996 -1.065 . . . . 0.0 109.563 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.84 -39.83 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.202 -0.936 . . . . 0.0 108.88 179.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -27.8 67.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.915 -179.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -72.6 -36.96 68.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.082 -1.011 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -72.81 114.9 11.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.0 109.135 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.32 -40.09 92.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.297 -0.877 . . . . 0.0 110.668 -179.525 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.54 -40.33 86.86 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 110.011 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.466 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 33.9 m -78.07 -34.17 50.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.09 -1.006 . . . . 0.0 110.431 -179.398 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -79.95 -69.89 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.363 -0.835 . . . . 0.0 111.366 -178.042 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.37 131.77 43.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.121 -0.987 . . . . 0.0 109.883 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -86.44 154.1 21.4 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.5 -59.63 10.19 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.43 151.11 25.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -1.127 . . . . 0.0 108.573 179.425 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.89 -135.46 0.08 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.926 -1.109 . . . . 0.0 109.561 -179.39 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ttt -65.01 135.54 55.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 110.332 -179.368 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -129.83 119.11 22.81 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.774 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.14 143.9 25.53 Favored Glycine 0 N--CA 1.492 2.389 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.638 -178.921 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -98.2 138.46 35.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.488 -1.007 . . . . 0.0 108.971 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 54' ' ' VAL . 7.2 m -102.37 138.62 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.445 -0.785 . . . . 0.0 110.098 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.535 -179.92 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.09 -40.54 94.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.5 -0.75 . . . . 0.0 110.605 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -66.08 -41.31 90.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 -179.453 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -35.45 92.02 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.3 -39.96 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.462 -1.023 . . . . 0.0 110.264 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -60.07 -45.41 92.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.181 -0.949 . . . . 0.0 109.75 -179.015 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -69.83 -40.82 75.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.806 -1.184 . . . . 0.0 108.928 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.62 -37.02 73.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.447 -0.783 . . . . 0.0 110.774 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.86 139.44 58.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.55 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -166.01 -175.07 3.22 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.39 -0.819 . . . . 0.0 108.85 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 158.16 23.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.18 -0.95 . . . . 0.0 109.778 -179.706 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 72.8 t60 -71.09 84.92 0.72 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.269 -0.894 . . . . 0.0 110.317 -178.768 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -99.66 -165.57 1.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.457 -0.777 . . . . 0.0 109.511 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -70.84 -26.38 63.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.367 -0.833 . . . . 0.0 109.373 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -58.99 -33.58 70.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.261 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -59.65 -38.28 81.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 108.993 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.1 p -61.4 -43.46 98.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.954 -1.091 . . . . 0.0 109.534 179.59 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -94.48 88.56 5.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.442 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -69.91 -23.99 63.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.994 -1.066 . . . . 0.0 109.773 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -62.35 -40.14 95.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.995 -1.066 . . . . 0.0 110.082 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.24 91.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.962 -1.086 . . . . 0.0 109.528 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.7 ttm -63.58 -45.2 91.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.659 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.19 -42.47 99.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.523 -179.603 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.2 m -65.6 -40.33 92.55 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.528 -0.732 . . . . 0.0 110.458 -179.197 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 110.495 -178.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -101.18 0.72 38.12 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.334 -0.854 . . . . 0.0 110.423 -178.979 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.9 m120 54.07 49.65 18.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.259 -0.901 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.7 152.16 50.97 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.64 151.06 75.12 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.865 1.71 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -44.81 -20.08 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.794 1.662 . . . . 0.0 112.392 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -59.32 -50.54 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.763 -1.211 . . . . 0.0 110.636 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.78 -44.47 85.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.449 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.75 96.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.83 -40.14 95.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 109.654 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.78 -41.09 97.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.095 -1.003 . . . . 0.0 110.06 -179.582 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.29 -40.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.14 -0.975 . . . . 0.0 109.389 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.12 -39.8 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 108.927 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -26.56 65.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.496 -0.753 . . . . 0.0 109.738 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -74.33 -34.63 63.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 0.0 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.54 113.73 13.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.92 -1.113 . . . . 0.0 108.95 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.99 -39.7 90.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.243 -0.911 . . . . 0.0 110.528 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.033 -1.042 . . . . 0.0 109.748 -179.033 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 34.6 m -77.74 -35.4 51.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 110.181 -179.243 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -79.61 -70.17 0.53 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.432 -0.793 . . . . 0.0 111.497 -178.151 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.03 130.68 41.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.061 -1.024 . . . . 0.0 109.743 -178.474 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -86.12 152.57 22.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.468 -0.77 . . . . 0.0 108.938 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.76 -61.91 6.6 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -81.15 152.44 27.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -1.168 . . . . 0.0 108.435 179.238 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.78 -131.14 0.06 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.729 -1.232 . . . . 0.0 109.987 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.41 136.03 51.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -129.95 119.03 22.56 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.061 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.14 142.09 23.84 Favored Glycine 0 N--CA 1.491 2.301 0 C-N-CA 120.135 -1.031 . . . . 0.0 110.856 -179.175 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -96.66 139.03 33.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.513 -0.992 . . . . 0.0 108.797 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG22 ' H ' ' B' ' 54' ' ' VAL . 6.0 m -103.69 137.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.469 -0.769 . . . . 0.0 109.965 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.386 179.863 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 32.5 m-85 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.499 0.666 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.98 -40.33 93.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.579 -0.701 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.45 -41.14 96.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.755 -178.561 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -33.48 86.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.59 -40.43 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.247 -1.149 . . . . 0.0 110.48 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.76 -47.4 85.82 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.262 -178.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.53 -40.8 76.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 109.663 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -28.46 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 -179.395 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -58.24 138.69 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.369 -0.832 . . . . 0.0 109.588 -178.363 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -164.66 165.67 20.73 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 108.835 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' GLU . 56.0 mp0 -58.49 161.97 4.12 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.127 -0.983 . . . . 0.0 109.168 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -69.47 70.46 0.28 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.192 -0.942 . . . . 0.0 109.219 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.1 mm-40 -88.98 -161.01 0.72 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.583 0.706 . . . . 0.0 109.673 -179.577 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -70.02 -28.42 65.47 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.561 -0.712 . . . . 0.0 109.398 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -59.95 -36.42 77.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.831 . . . . 0.0 109.869 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -60.11 -40.19 88.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.91 -1.119 . . . . 0.0 109.919 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -60.94 -41.64 96.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.585 -1.322 . . . . 0.0 109.533 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -95.45 87.58 4.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.124 -0.985 . . . . 0.0 109.007 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 p-90 -70.12 -28.45 65.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -60.92 -39.45 89.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.935 -1.103 . . . . 0.0 109.492 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.36 90.99 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 109.531 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.0 ttm -59.76 -46.24 89.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.867 . . . . 0.0 110.168 -179.544 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.19 -41.34 99.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.151 -0.968 . . . . 0.0 109.808 -179.509 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -69.19 -39.87 78.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 109.808 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.58 -40.62 92.41 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.391 -0.818 . . . . 0.0 110.115 -178.644 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -103.85 4.17 34.65 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.31 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 55.47 45.72 24.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.498 -0.752 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 63.0 mt -118.68 150.18 47.77 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' VAL . 36.8 Cg_endo -65.68 148.97 87.49 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.474 1.45 . . . . 0.0 111.289 -179.794 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.41 -20.56 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.585 2.19 . . . . 0.0 112.942 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 95.2 t -59.67 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.017 -1.052 . . . . 0.0 110.998 -177.934 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.99 -42.89 89.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 119.096 -1.042 . . . . 0.0 109.412 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.12 -45.33 92.5 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.421 -0.8 . . . . 0.0 109.892 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.79 -40.28 96.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.947 -1.095 . . . . 0.0 109.72 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.71 -41.59 95.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.113 -0.992 . . . . 0.0 109.748 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -66.11 -41.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.039 -1.038 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ALA . 78.2 t -63.53 -39.71 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -28.69 67.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.533 -0.73 . . . . 0.0 110.534 -179.088 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -74.99 -30.94 61.3 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.311 -0.868 . . . . 0.0 109.837 -178.647 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 t -74.28 118.24 17.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 108.965 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.87 -40.02 93.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.46 -0.775 . . . . 0.0 110.487 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.89 -39.73 86.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.209 -0.932 . . . . 0.0 110.048 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -72.31 -40.99 67.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.613 -0.679 . . . . 0.0 110.541 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -73.78 -77.7 0.11 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 110.58 -177.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.7 mt -75.21 129.99 38.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.324 -0.86 . . . . 0.0 109.689 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -93.87 123.98 37.58 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.485 -0.759 . . . . 0.0 109.502 179.2 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.97 -131.0 23.89 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.32 142.16 30.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.489 -1.007 . . . . 0.0 109.63 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.22 -77.44 0.4 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.146 -0.971 . . . . 0.0 110.316 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.0 mtt -79.44 153.63 29.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 0.0 110.368 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' H ' ' H ' ' B' ' 52' ' ' GLY . 35.3 t-80 55.75 46.02 23.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' H ' ' H ' ' B' ' 51' ' ' HIS . . . -62.23 -123.26 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -78.7 130.33 35.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -1.073 . . . . 0.0 109.265 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 54' ' ' VAL . 10.2 m -93.49 145.13 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.988 -1.07 . . . . 0.0 109.381 -179.564 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.501 2.105 0 O-C-N 121.034 -1.041 . . . . 0.0 109.663 -179.608 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 34.5 m-85 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.498 0.666 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.84 -40.28 92.24 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.335 -179.467 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.24 -39.8 95.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.462 -0.774 . . . . 0.0 111.036 -178.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 -32.77 84.24 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -1.045 . . . . 0.0 110.329 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.26 -48.46 81.65 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 109.476 -178.685 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.91 . . . . 0.0 109.556 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.72 65.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 110.062 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -58.99 139.72 56.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -178.559 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -165.72 167.08 17.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.447 -0.783 . . . . 0.0 109.258 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' B' ' 13' ' ' GLU . 49.8 mp0 -59.9 157.58 12.24 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.586 -179.44 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.2 t60 -65.23 71.31 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.347 -0.846 . . . . 0.0 109.107 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' GLU . 52.9 mm-40 -90.49 -161.39 0.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.411 -0.806 . . . . 0.0 109.81 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.08 -28.16 66.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.461 -0.774 . . . . 0.0 109.333 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.06 -36.45 77.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.313 -0.867 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -60.33 -40.27 90.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.745 -1.222 . . . . 0.0 109.805 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 p -60.33 -41.47 93.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 109.213 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.01 88.79 4.99 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.479 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -70.79 -27.66 64.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.199 -0.938 . . . . 0.0 110.736 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -61.61 -40.11 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.02 -1.05 . . . . 0.0 109.357 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.03 91.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.622 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.76 -47.52 85.36 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.27 -0.894 . . . . 0.0 109.874 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.45 -40.72 97.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.601 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.5 t -69.52 -39.94 77.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.889 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.49 -40.03 89.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 -178.974 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.76 3.87 34.56 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 -179.133 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 55.84 45.87 23.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.551 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 72.7 mt -119.25 149.58 47.59 Favored Pre-proline 0 N--CA 1.498 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' VAL . 35.5 Cg_endo -66.13 149.85 85.43 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.633 1.555 . . . . 0.0 111.386 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.98 -20.77 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.736 2.291 . . . . 0.0 112.787 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 29' ' ' PRO . 99.2 t -59.52 -50.34 80.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.012 -1.055 . . . . 0.0 110.614 -177.87 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.43 -42.8 87.65 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.076 -1.015 . . . . 0.0 109.266 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -63.16 -45.65 90.87 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.922 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.23 -40.33 97.16 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.808 -1.182 . . . . 0.0 110.023 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -60.84 -40.43 92.81 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.051 -1.031 . . . . 0.0 109.878 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -67.42 -41.13 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.239 -0.913 . . . . 0.0 108.987 -179.507 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 33' ' ' ALA . 90.3 t -64.07 -39.2 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.103 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.5 67.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.458 -0.776 . . . . 0.0 110.265 -179.222 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.1 m -74.7 -30.84 61.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.962 -1.086 . . . . 0.0 109.713 -179.126 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -74.83 117.54 16.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.897 -1.127 . . . . 0.0 109.145 179.864 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.91 -40.0 91.5 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.91 -38.52 82.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 0.0 110.466 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.01 -39.51 63.56 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.397 -0.814 . . . . 0.0 110.331 -178.84 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -75.19 -77.66 0.12 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.372 -0.83 . . . . 0.0 110.71 -177.941 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.8 mt -75.11 129.46 37.59 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.167 -0.958 . . . . 0.0 109.392 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -92.71 124.87 37.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.444 -0.785 . . . . 0.0 109.141 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.47 -128.86 14.43 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.83 142.44 29.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.93 . . . . 0.0 110.066 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.83 -78.33 0.39 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.246 -0.909 . . . . 0.0 110.411 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.0 mtt -79.67 153.13 29.55 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.285 -0.884 . . . . 0.0 110.411 -178.717 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.468 ' H ' ' H ' ' A' ' 52' ' ' GLY . 29.9 t-80 56.26 45.76 22.49 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.0 109.676 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 51' ' ' HIS . . . -63.46 -120.8 0.01 OUTLIER Glycine 0 N--CA 1.496 2.685 0 C-N-CA 119.584 -1.293 . . . . 0.0 109.912 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -79.37 132.6 36.46 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.065 -1.256 . . . . 0.0 109.135 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.423 HG22 ' H ' ' B' ' 54' ' ' VAL . 10.0 m -95.33 143.9 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.277 -0.89 . . . . 0.0 109.507 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.002 -1.061 . . . . 0.0 109.237 179.732 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 62.6 m-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.46 -39.84 95.54 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.22 -0.925 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.12 -43.39 87.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.387 -0.821 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.16 -35.51 92.18 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.374 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.26 -39.84 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.139 -1.212 . . . . 0.0 110.856 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.72 -45.14 93.06 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 109.06 -178.368 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.41 -40.57 77.25 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.022 -1.049 . . . . 0.0 110.268 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.04 66.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.416 -0.803 . . . . 0.0 110.575 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.32 140.33 58.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 108.908 -179.216 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -170.86 169.47 6.82 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.994 0.902 . . . . 0.0 110.269 -179.293 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.01 149.77 3.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.773 0.797 . . . . 0.0 110.608 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.8 81.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.671 0.748 . . . . 0.0 110.012 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -100.82 -163.0 0.98 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.544 -0.723 . . . . 0.0 109.543 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.22 -25.32 63.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.422 -0.799 . . . . 0.0 109.435 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.685 -0.635 . . . . 0.0 109.562 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.25 -0.906 . . . . 0.0 108.808 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.3 p -60.81 -44.65 96.6 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.291 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -92.62 87.99 6.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.175 -0.953 . . . . 0.0 109.151 178.928 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -70.9 -27.95 64.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.27 -0.894 . . . . 0.0 109.714 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -41.12 90.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.924 . . . . 0.0 109.577 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.0 ttm -61.31 -48.71 80.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.345 -0.847 . . . . 0.0 110.284 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.13 -41.0 99.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -67.13 -40.03 86.73 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.007 -1.058 . . . . 0.0 109.428 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -61.9 -40.32 95.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 110.477 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -101.71 -2.77 29.47 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 110.134 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.2 m-20 54.27 48.43 20.8 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.0 110.733 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -119.05 146.12 39.64 Favored Pre-proline 0 N--CA 1.504 2.244 0 O-C-N 121.259 -0.901 . . . . 0.0 108.876 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' VAL . 75.2 Cg_exo -47.89 139.49 19.6 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.747 1.631 . . . . 0.0 111.262 178.408 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -42.16 -15.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.327 2.018 . . . . 0.0 111.516 179.097 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.6 t -60.01 -49.87 82.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.666 -0.647 . . . . 0.0 110.976 -177.827 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.97 -44.92 92.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.017 -1.052 . . . . 0.0 108.956 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.77 91.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 110.115 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.89 -39.86 95.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.813 -1.179 . . . . 0.0 110.672 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.703 -1.248 . . . . 0.0 109.63 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.85 -40.1 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.285 -0.884 . . . . 0.0 109.235 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.77 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.791 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.03 78.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.751 -0.593 . . . . 0.0 110.428 -179.368 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -71.88 -30.33 65.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.09 -1.006 . . . . 0.0 110.145 -178.311 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -72.93 111.64 8.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.209 -0.932 . . . . 0.0 108.566 179.637 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.11 -40.35 89.39 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.071 -1.018 . . . . 0.0 110.769 -178.819 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -59.64 -39.47 84.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.453 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.07 -39.84 60.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.022 . . . . 0.0 110.115 -178.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -79.81 -70.02 0.54 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.581 -0.699 . . . . 0.0 111.095 -177.679 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.58 148.76 50.04 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.174 -1.011 . . . . 0.0 110.478 -178.167 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.48 173.9 8.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.648 -0.657 . . . . 0.0 110.092 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.14 -91.86 0.01 OUTLIER Glycine 0 N--CA 1.496 2.646 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.713 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -113.28 29.86 7.66 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.058 -1.26 . . . . 0.0 111.266 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.11 -149.9 0.24 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.837 -1.164 . . . . 0.0 110.051 179.137 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.0 tpp -86.55 130.14 34.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.124 -179.257 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -159.27 114.95 2.53 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.9 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.35 176.41 48.36 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -89.79 121.25 31.76 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.504 -0.998 . . . . 0.0 109.021 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.447 ' O ' HG22 ' A' ' 54' ' ' VAL . 10.2 p -105.23 9.51 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 CA-C-O 122.004 0.907 . . . . 0.0 109.042 -179.775 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.982 -1.074 . . . . 0.0 109.682 -179.526 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 61.9 m-85 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.21 -40.54 96.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.339 -0.851 . . . . 0.0 110.317 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -65.47 -40.51 93.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.326 -179.111 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.72 -34.17 86.56 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.05 -39.83 82.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.819 -0.813 . . . . 0.0 110.993 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.92 -45.58 92.12 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.786 -1.196 . . . . 0.0 109.1 -178.48 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.77 -40.38 76.11 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.82 68.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.146 -0.971 . . . . 0.0 110.35 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.14 140.42 57.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -170.16 169.27 7.95 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 109.986 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.1 152.4 2.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.324 -0.86 . . . . 0.0 110.634 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -67.07 80.37 0.12 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -99.92 -162.72 0.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.37 -26.96 63.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 0.0 109.378 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.38 -37.11 77.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 -179.404 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -60.04 -40.05 88.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.81 -1.182 . . . . 0.0 109.432 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -60.95 -41.33 96.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.783 -1.198 . . . . 0.0 108.736 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -96.3 85.43 3.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.554 -0.716 . . . . 0.0 109.403 179.208 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -69.93 -26.6 64.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.153 -0.967 . . . . 0.0 110.635 -179.691 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.86 92.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.012 -1.055 . . . . 0.0 110.334 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.15 92.59 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.849 -1.157 . . . . 0.0 109.451 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.4 ttm -60.13 -47.32 86.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.035 -1.041 . . . . 0.0 110.105 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.62 -41.1 98.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.419 -0.8 . . . . 0.0 109.582 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -68.47 -39.45 81.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.281 -0.887 . . . . 0.0 109.363 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.24 -40.35 95.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 110.09 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.69 -3.85 27.52 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.382 -0.823 . . . . 0.0 110.153 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 2.2 m-20 55.99 48.66 17.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.62 145.61 39.53 Favored Pre-proline 0 N--CA 1.501 2.087 0 O-C-N 121.359 -0.838 . . . . 0.0 109.072 179.177 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 31' ' ' VAL . 72.9 Cg_exo -47.82 139.29 19.51 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.619 1.546 . . . . 0.0 111.701 178.454 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.61 -17.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.28 1.987 . . . . 0.0 111.744 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 29' ' ' PRO . 59.2 t -58.99 -49.33 83.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.664 -0.648 . . . . 0.0 110.749 -178.322 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.87 -43.12 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.009 -1.057 . . . . 0.0 109.428 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -64.54 -45.3 87.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.444 -0.785 . . . . 0.0 109.802 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.06 -40.03 96.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.025 -1.047 . . . . 0.0 110.338 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -61.09 -40.44 93.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.836 -1.165 . . . . 0.0 109.417 -179.464 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.79 -40.68 88.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 109.171 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 33' ' ' ALA . 78.3 t -63.35 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.62 70.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.704 -0.622 . . . . 0.0 110.223 -179.633 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -74.16 -30.3 62.19 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.695 -1.253 . . . . 0.0 109.708 -178.696 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.48 111.34 8.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 108.613 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.88 -40.48 88.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 110.17 -178.863 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.11 -40.24 89.01 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.044 -1.035 . . . . 0.0 110.131 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.6 m -74.28 -39.94 62.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.745 -1.222 . . . . 0.0 110.493 -179.253 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -79.19 -69.86 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.835 . . . . 0.0 110.951 -177.592 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.79 145.23 52.32 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.018 0.913 . . . . 0.0 111.166 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' B' ' 47' ' ' GLY . 66.3 mttm -85.18 171.44 11.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.501 -0.75 . . . . 0.0 111.16 -179.619 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 47' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' B' ' 46' ' ' LYS . . . -35.76 -91.45 0.01 OUTLIER Glycine 0 N--CA 1.496 2.69 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.531 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -115.27 30.09 7.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.307 -1.113 . . . . 0.0 110.706 -178.9 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.04 -146.21 0.46 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.946 -1.096 . . . . 0.0 110.232 179.205 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 50.5 tpp -89.2 126.63 35.56 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.863 . . . . 0.0 109.828 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -155.16 117.27 4.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.08 -1.012 . . . . 0.0 108.859 178.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.29 177.23 47.3 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -179.864 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.52 122.71 34.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.005 -1.291 . . . . 0.0 109.14 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.41 ' O ' HG22 ' B' ' 54' ' ' VAL . 8.6 p -105.4 8.68 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.228 -0.92 . . . . 0.0 108.819 -179.379 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.6 t0 . . . . . 0 C--N 1.3 -1.568 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.644 179.905 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.431 0.634 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.53 -40.13 90.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.2 -40.69 98.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.203 -0.936 . . . . 0.0 110.234 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.43 98.03 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -65.73 -40.07 86.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.79 -0.83 . . . . 0.0 110.41 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.01 -48.38 81.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.067 . . . . 0.0 110.039 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -68.97 -40.05 79.1 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.945 -1.097 . . . . 0.0 109.387 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.87 65.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.85 . . . . 0.0 109.61 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.84 139.65 58.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.0 109.265 -179.216 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 2.8 tp10 -168.75 -170.03 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 13.0 pt-20 -73.58 161.49 30.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.98 -1.075 . . . . 0.0 109.618 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.64 79.61 0.82 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 109.615 -179.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -101.53 -151.44 0.41 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.397 -0.815 . . . . 0.0 109.998 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.06 -34.11 72.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 109.828 -179.83 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.801 -179.126 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.22 -40.74 91.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.943 -1.098 . . . . 0.0 109.382 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -62.53 -45.38 93.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.985 -1.072 . . . . 0.0 108.94 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.77 88.63 4.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.384 -0.823 . . . . 0.0 109.311 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -69.94 -28.28 65.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.088 -1.008 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.117 -0.99 . . . . 0.0 109.301 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -61.79 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 0.0 110.15 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.02 -41.31 99.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.028 -1.045 . . . . 0.0 110.095 -179.269 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -69.44 -39.95 77.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 110.147 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.86 -39.99 91.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.203 -0.936 . . . . 0.0 110.144 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.01 1.44 42.49 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.311 -0.868 . . . . 0.0 109.956 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.96 43.43 27.3 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.36 -0.837 . . . . 0.0 110.255 179.337 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 67.4 mt -116.12 152.38 47.7 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.5 Cg_endo -70.6 149.8 62.07 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.538 1.492 . . . . 0.0 111.058 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.65 -17.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.015 1.81 . . . . 0.0 112.067 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.2 t -59.87 -50.07 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.138 -0.976 . . . . 0.0 110.606 -178.324 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.53 -43.22 83.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.792 -1.193 . . . . 0.0 109.317 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.99 94.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.29 -40.0 92.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.019 -1.051 . . . . 0.0 110.182 179.626 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.15 -40.25 89.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.98 -1.075 . . . . 0.0 109.912 -179.31 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.7 -40.0 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.095 -1.003 . . . . 0.0 108.75 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.11 -40.03 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.04 76.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.47 -0.769 . . . . 0.0 109.472 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -73.67 -40.17 63.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 110.447 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.14 113.38 16.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.006 -1.059 . . . . 0.0 108.962 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.13 -39.98 88.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 0.0 110.476 -179.213 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.39 -39.94 89.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 110.427 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -75.18 -36.31 61.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.97 -1.081 . . . . 0.0 109.922 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.579 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.0 tt0 -79.56 -71.79 0.43 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.423 -0.798 . . . . 0.0 110.652 -178.25 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.42 136.54 44.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.897 . . . . 0.0 109.86 -178.922 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -89.01 -12.99 39.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.575 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 -7.29 62.76 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 55.0 tt0 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.963 -1.316 . . . . 0.0 109.226 -179.819 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . 47.36 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.398 -0.814 . . . . 0.0 109.626 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.9 -0.83 57.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 109.588 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 16.6 p-80 -59.51 -21.96 60.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.851 -1.156 . . . . 0.0 109.808 -179.279 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -48.27 -96.2 0.01 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -78.57 146.63 34.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.24 . . . . 0.0 109.045 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.2 122.68 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.533 -0.73 . . . . 0.0 109.158 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.563 -179.804 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.381 0.61 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.14 90.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 109.818 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.15 -40.71 98.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.285 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.4 98.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.69 -40.0 86.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.796 -0.826 . . . . 0.0 110.41 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.06 -48.44 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.057 . . . . 0.0 110.04 -179.106 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.02 -39.96 78.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.918 -1.114 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.05 -28.89 65.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.856 . . . . 0.0 109.685 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.79 139.54 58.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.247 -179.28 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 2.8 tp10 -168.65 -170.06 1.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 13.0 pt-20 -73.64 161.47 30.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.7 -179.678 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -71.58 79.48 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.655 -179.536 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -101.37 -151.44 0.41 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.336 -0.852 . . . . 0.0 109.976 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.98 -34.31 73.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.752 . . . . 0.0 109.849 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -59.93 -39.96 87.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 109.767 -179.112 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.36 -40.9 92.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.007 -1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.29 -45.48 93.06 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.945 -1.097 . . . . 0.0 108.992 179.586 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -98.81 88.77 4.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.425 -0.797 . . . . 0.0 109.257 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -70.0 -28.3 65.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.53 -39.97 89.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.029 -179.454 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -61.85 -43.46 98.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.14 -179.708 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.97 -41.34 99.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.051 -1.031 . . . . 0.0 110.115 -179.284 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.2 t -69.35 -39.98 77.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.229 -0.919 . . . . 0.0 110.196 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.8 -40.07 91.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 110.142 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -99.99 1.42 42.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 -179.451 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 m120 55.89 43.56 27.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.442 -0.786 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 67.7 mt -116.26 152.39 47.87 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.78 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.3 Cg_endo -70.59 149.75 62.08 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.574 1.516 . . . . 0.0 111.118 179.749 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.57 -17.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.124 1.882 . . . . 0.0 111.964 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 29' ' ' PRO . 58.7 t -60.03 -49.99 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.116 -0.99 . . . . 0.0 110.615 -178.224 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.56 -43.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 120.833 -1.167 . . . . 0.0 109.343 -179.783 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.98 94.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 109.605 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.35 -40.07 92.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.98 -1.075 . . . . 0.0 110.082 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.15 -40.17 88.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.037 -1.039 . . . . 0.0 110.013 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.63 -40.09 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.067 -1.02 . . . . 0.0 108.599 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.23 -39.95 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.474 -0.766 . . . . 0.0 108.965 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.27 -33.88 76.23 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.543 -0.723 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -73.77 -39.96 63.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.139 -0.976 . . . . 0.0 110.428 -179.174 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -78.17 113.25 15.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 0.0 108.958 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -60.08 -40.06 88.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.451 -179.277 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.31 -39.99 88.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.958 . . . . 0.0 110.384 -179.026 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.29 -36.15 61.2 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 109.94 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.579 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 -79.53 -71.91 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.395 -0.816 . . . . 0.0 110.696 -178.314 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.41 136.37 44.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.196 -0.94 . . . . 0.0 109.915 -178.985 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -88.74 -12.77 41.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 108.92 179.54 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.38 -7.08 61.97 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.014 -1.235 . . . . 0.0 110.014 179.571 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' B' ' 51' ' ' HIS . 54.4 tt0 -60.1 -40.47 89.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.311 . . . . 0.0 109.098 -179.77 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 48' ' ' GLU . . . 47.31 -175.02 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.474 -0.766 . . . . 0.0 109.605 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.9 ttt -91.0 -0.49 57.76 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.254 -0.904 . . . . 0.0 109.496 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' B' ' 48' ' ' GLU . 16.6 p-80 -59.86 -21.89 61.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.876 -1.14 . . . . 0.0 109.8 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . -48.32 -96.07 0.01 OUTLIER Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.787 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -78.59 147.16 33.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -1.187 . . . . 0.0 109.135 179.829 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.67 122.66 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.486 -0.759 . . . . 0.0 109.23 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.523 -179.662 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.588 0.708 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 mt -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.456 -0.778 . . . . 0.0 110.031 -179.313 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.25 -41.28 99.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.93 -1.106 . . . . 0.0 109.659 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.79 -38.08 95.63 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.13 -40.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.792 -0.828 . . . . 0.0 110.298 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -60.15 -46.12 90.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 110.217 -178.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -44.33 81.27 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.34 75.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.0 110.369 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.36 123.86 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 110.049 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.31 -164.92 2.13 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 154.78 41.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.932 -1.105 . . . . 0.0 108.985 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.9 t60 -63.3 82.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.91 . . . . 0.0 110.318 -178.606 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -91.33 -172.43 3.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.621 -0.674 . . . . 0.0 109.27 179.578 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.8 -26.63 65.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.469 -0.769 . . . . 0.0 109.129 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -59.59 -33.54 71.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.35 -0.844 . . . . 0.0 109.506 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.93 -40.42 88.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.065 -1.022 . . . . 0.0 109.013 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -60.05 -44.03 94.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.924 -1.11 . . . . 0.0 108.812 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.22 92.53 7.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.37 -27.3 64.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.193 -0.942 . . . . 0.0 110.011 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.02 -40.17 92.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.218 -0.926 . . . . 0.0 110.161 -179.054 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.6 ttm -63.31 -42.18 98.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.856 . . . . 0.0 109.564 -179.804 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.17 -43.67 94.41 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -68.52 -40.18 80.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.269 -0.895 . . . . 0.0 110.104 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.157 -0.964 . . . . 0.0 110.22 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -101.88 0.05 34.85 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.475 -0.765 . . . . 0.0 109.902 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' ALA . 96.9 m-20 54.61 47.34 22.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.143 179.639 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 56.2 mt -119.23 150.29 48.94 Favored Pre-proline 0 N--CA 1.5 2.064 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.22 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.65 160.77 48.05 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.769 1.646 . . . . 0.0 111.158 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.9 -19.76 8.87 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.479 2.119 . . . . 0.0 111.797 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.88 -50.53 79.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.987 -1.07 . . . . 0.0 110.38 -178.603 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.97 -46.83 78.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.99 98.34 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 110.123 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -63.69 -39.82 95.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.704 -1.247 . . . . 0.0 109.584 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -60.46 -41.58 94.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.987 -1.071 . . . . 0.0 109.833 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.431 HD12 ' SD ' ' A' ' 22' ' ' MET . 80.7 mt -61.23 -40.16 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 108.632 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -39.8 83.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.21 80.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.671 -0.643 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -71.93 -39.82 69.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.123 -0.985 . . . . 0.0 110.478 -178.604 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.1 114.06 13.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.885 -1.134 . . . . 0.0 108.288 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.14 -40.25 89.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.213 -178.7 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -60.0 -40.11 88.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.088 -1.007 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 11.7 m -79.72 -37.24 36.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.17 -59.11 3.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.35 -0.844 . . . . 0.0 111.378 -178.099 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -82.02 83.46 7.28 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.973 -1.079 . . . . 0.0 109.118 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -95.42 -22.6 17.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.346 -0.846 . . . . 0.0 110.156 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.9 176.11 54.01 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -85.57 125.39 33.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.399 -1.059 . . . . 0.0 108.674 179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.99 -73.09 0.53 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.085 -1.01 . . . . 0.0 109.676 -179.847 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -60.66 143.05 54.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -0.889 . . . . 0.0 109.789 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.668 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 7.7 t-80 59.92 -160.63 0.29 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . 92.28 63.75 1.13 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.772 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 64.92 68.31 0.52 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.718 -0.872 . . . . 0.0 109.41 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.86 136.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.527 -0.733 . . . . 0.0 109.5 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.983 -179.858 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.645 0.736 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.5 mt -59.99 -40.43 89.15 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.558 -0.713 . . . . 0.0 110.078 -179.524 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.44 -40.53 97.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.83 -1.169 . . . . 0.0 109.68 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.9 95.15 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 179.592 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.1 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.723 -0.869 . . . . 0.0 110.726 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -60.43 -45.24 94.36 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.789 -1.194 . . . . 0.0 110.328 -178.55 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.5 -43.71 80.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.623 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.81 74.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.596 -0.69 . . . . 0.0 110.244 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.19 124.42 20.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.01 . . . . 0.0 109.88 -178.66 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -148.54 -165.03 2.16 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 155.79 40.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 108.874 179.512 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -64.43 81.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.331 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -90.58 -172.77 3.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.372 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -68.48 -27.44 66.15 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -58.95 -33.43 70.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.317 -0.865 . . . . 0.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -59.9 -40.33 88.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.891 -1.13 . . . . 0.0 109.058 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -59.99 -43.83 94.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.801 -1.187 . . . . 0.0 108.606 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.44 92.58 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.36 -26.68 63.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.902 -1.124 . . . . 0.0 110.093 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.78 -40.4 95.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 -179.034 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.6 89.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.002 -1.061 . . . . 0.0 109.761 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.4 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.3 ttm -62.86 -42.58 99.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.58 -43.96 95.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.535 -0.728 . . . . 0.0 109.929 -179.539 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.5 t -69.0 -39.83 79.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.432 -0.793 . . . . 0.0 110.113 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -62.41 -40.0 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.736 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 -0.0 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.306 -0.871 . . . . 0.0 110.042 -179.801 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.1 m-20 55.04 47.09 22.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.346 -0.846 . . . . 0.0 110.09 179.568 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 59.1 mt -119.5 150.74 50.44 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.319 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.75 161.24 46.25 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 121.57 1.513 . . . . 0.0 111.069 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.24 -19.69 9.75 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.384 2.056 . . . . 0.0 111.63 -179.474 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.71 -50.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.819 -1.176 . . . . 0.0 110.308 -178.644 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.92 -45.71 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.011 -1.055 . . . . 0.0 109.509 -179.564 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.37 95.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -63.99 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.906 -1.121 . . . . 0.0 109.492 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.98 -41.97 93.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.016 . . . . 0.0 110.056 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.4 HD12 ' SD ' ' B' ' 22' ' ' MET . 76.3 mt -61.0 -40.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.116 -0.99 . . . . 0.0 108.638 179.447 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.06 -39.85 83.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.669 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.63 81.83 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.773 -0.579 . . . . 0.0 109.94 179.676 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -72.0 -40.16 68.73 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.085 -1.009 . . . . 0.0 110.411 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.8 113.57 12.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.721 -1.237 . . . . 0.0 108.319 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.05 -40.23 88.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.4 -0.813 . . . . 0.0 110.25 -178.682 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -60.29 -39.78 88.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.908 -1.12 . . . . 0.0 109.243 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 m -79.38 -38.36 35.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 110.07 179.677 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -67.3 -59.79 3.12 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.17 -0.956 . . . . 0.0 111.311 -177.926 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.24 84.53 6.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.926 -1.109 . . . . 0.0 109.115 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -96.22 -22.63 17.14 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.234 -0.916 . . . . 0.0 110.076 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.43 176.21 53.6 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -85.92 125.18 33.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.548 -0.972 . . . . 0.0 108.552 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.62 0.55 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.11 -0.994 . . . . 0.0 109.661 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -61.08 141.81 57.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.48 -0.763 . . . . 0.0 109.608 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' HIS . . . . . 0.666 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 7.2 t-80 61.07 -159.97 0.31 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.703 -0.623 . . . . 0.0 109.557 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 52' ' ' GLY . . . . . 0.666 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 91.69 64.12 1.16 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 -179.771 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 64.6 68.22 0.54 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.939 . . . . 0.0 109.495 -179.54 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -93.74 135.94 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.411 -0.805 . . . . 0.0 109.7 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 118.048 -0.977 . . . . 0.0 108.962 -179.91 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.436 0.636 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.8 mt -59.85 -40.1 87.4 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.476 -0.765 . . . . 0.0 110.104 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.36 -40.39 95.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 110.398 -179.369 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.0 95.08 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.15 -39.32 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.742 -0.857 . . . . 0.0 110.032 179.827 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.074 -1.016 . . . . 0.0 110.368 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.05 -40.15 78.72 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.94 -1.1 . . . . 0.0 109.016 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.58 72.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.281 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.15 133.96 53.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 0.0 109.748 -179.147 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.85 -164.93 2.07 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.307 -0.871 . . . . 0.0 109.113 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -77.53 153.51 33.32 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.161 -0.962 . . . . 0.0 109.021 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -71.1 70.39 0.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.524 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.92 -150.97 0.41 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.628 -0.67 . . . . 0.0 109.313 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.06 -30.25 67.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.067 -1.021 . . . . 0.0 110.517 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -60.15 -38.39 83.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.896 -1.128 . . . . 0.0 109.95 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.931 -1.106 . . . . 0.0 109.365 -179.828 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -61.88 -42.55 99.2 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.185 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -96.24 83.64 3.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -69.92 -25.2 63.56 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 109.156 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.79 -40.15 91.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.105 -0.997 . . . . 0.0 110.087 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.78 93.08 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.097 -1.002 . . . . 0.0 109.098 179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.6 ttp -64.61 -40.75 96.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.477 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.16 94.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.196 -0.94 . . . . 0.0 109.104 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.5 m -68.75 -39.79 80.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.483 -0.761 . . . . 0.0 110.54 -179.532 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 110.499 -178.883 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -100.56 1.24 40.71 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.286 -0.884 . . . . 0.0 109.883 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 55.38 47.25 21.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.381 -0.824 . . . . 0.0 109.696 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.96 149.95 46.37 Favored Pre-proline 0 N--CA 1.498 1.94 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.32 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.2 Cg_endo -70.5 148.85 61.16 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.683 1.589 . . . . 0.0 111.561 179.742 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -38.85 -25.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.367 179.226 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 66.5 t -53.07 -57.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.653 -0.654 . . . . 0.0 110.505 -178.741 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.36 -42.15 94.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.21 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.13 92.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.143 -0.973 . . . . 0.0 109.741 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.49 -39.76 88.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 110.208 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.24 -40.84 91.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.176 . . . . 0.0 109.267 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.56 -41.33 89.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.288 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.11 -40.28 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.895 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.52 80.58 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.666 -0.646 . . . . 0.0 109.538 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -72.29 -37.44 68.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.258 -0.901 . . . . 0.0 109.446 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.79 110.64 8.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.884 -1.135 . . . . 0.0 108.836 179.64 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.95 -40.54 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 110.367 -179.164 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -60.44 -40.71 92.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.515 -0.741 . . . . 0.0 110.357 -178.784 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.6 m -76.81 -31.03 56.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.965 -1.085 . . . . 0.0 109.908 -179.514 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -75.13 -77.75 0.12 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.845 . . . . 0.0 109.964 -179.357 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 141.04 53.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.406 -0.809 . . . . 0.0 109.13 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -82.78 -9.39 59.37 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 -179.238 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.22 -131.61 1.53 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 53.6 mt-10 -87.62 -0.47 56.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.588 -0.948 . . . . 0.0 109.851 -179.504 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 71.07 -65.65 0.33 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.309 -0.869 . . . . 0.0 109.465 -179.821 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.9 ptm -80.86 148.05 30.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -0.952 . . . . 0.0 109.782 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -130.11 144.03 51.12 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.85 100.52 0.14 Allowed Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -93.02 12.76 22.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.504 -0.998 . . . . 0.0 109.575 -179.816 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -110.61 129.93 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.727 -0.608 . . . . 0.0 110.025 179.587 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.157 179.348 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.355 0.598 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.03 -40.37 89.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.474 -0.766 . . . . 0.0 109.851 -178.951 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -63.36 -41.06 98.8 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -0.879 . . . . 0.0 110.355 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.55 94.69 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' B' ' 9' ' ' GLN . 73.3 mt -64.37 -39.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.547 -0.972 . . . . 0.0 109.904 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.076 -1.015 . . . . 0.0 110.451 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -68.31 -40.58 81.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.038 . . . . 0.0 108.855 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -33.54 73.23 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.557 -0.714 . . . . 0.0 110.225 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 5' ' ' ILE . 62.8 tt0 -64.26 133.96 53.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 109.816 -179.264 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.56 -165.0 2.07 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.202 -0.936 . . . . 0.0 109.085 179.689 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -77.08 156.93 31.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.327 -0.858 . . . . 0.0 109.058 179.595 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.05 69.98 1.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.511 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.62 -151.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.17 -30.28 67.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.01 -1.056 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -60.28 -38.3 83.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.072 -1.017 . . . . 0.0 109.776 -179.059 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -59.86 -40.37 88.38 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.08 -1.012 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.44 -41.75 97.68 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.992 -1.068 . . . . 0.0 108.408 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -97.14 83.2 3.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.384 -0.823 . . . . 0.0 108.866 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -69.82 -24.11 63.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.948 -1.095 . . . . 0.0 109.661 -179.643 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.79 -39.99 93.65 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.963 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.091 -1.006 . . . . 0.0 108.732 179.569 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.6 ttp -63.88 -40.29 96.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.051 -1.031 . . . . 0.0 109.439 179.8 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.78 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.123 -0.986 . . . . 0.0 109.168 179.592 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.24 -39.87 78.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 110.563 -179.666 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.72 -40.04 93.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.69 -178.637 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.25 1.57 41.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.237 -0.914 . . . . 0.0 109.878 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 55.96 45.35 24.04 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.861 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -116.06 150.07 44.49 Favored Pre-proline 0 N--CA 1.503 2.179 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.478 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.4 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.6 1.533 . . . . 0.0 111.614 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.94 -25.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.614 2.21 . . . . 0.0 111.968 179.583 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -52.85 -56.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 110.683 -178.552 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.03 -41.3 91.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.003 -1.061 . . . . 0.0 109.848 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -60.9 -39.23 88.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.947 -1.096 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -60.35 -41.49 93.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 109.216 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.79 -41.49 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.69 -40.35 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.624 0.726 . . . . 0.0 109.059 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.98 80.41 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.673 0.749 . . . . 0.0 109.673 -179.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 m -72.58 -37.62 68.11 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 109.68 -179.547 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.1 111.51 9.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.958 -1.089 . . . . 0.0 109.03 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -60.45 -39.99 89.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.511 -0.743 . . . . 0.0 110.522 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.99 -39.97 91.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.916 . . . . 0.0 110.565 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.3 m -76.88 -32.13 57.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.146 -0.971 . . . . 0.0 109.741 -179.349 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -74.35 -77.81 0.11 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.346 -0.846 . . . . 0.0 109.984 -179.402 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.92 141.61 53.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 0.0 108.888 -179.676 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -82.96 -8.88 59.52 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.399 0.619 . . . . 0.0 109.358 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.97 -132.76 1.75 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 55.0 mt-10 -86.67 0.61 54.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -1.206 . . . . 0.0 109.654 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 68.69 -64.71 0.3 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.677 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.441 ' N ' ' O ' ' B' ' 48' ' ' GLU . 22.2 ptm -80.77 147.72 30.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.259 -0.901 . . . . 0.0 109.725 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -130.38 141.8 50.54 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.62 102.41 0.16 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -94.7 11.16 32.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.25 -1.147 . . . . 0.0 109.462 -179.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -110.11 130.1 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.528 -0.732 . . . . 0.0 109.52 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.145 179.383 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.379 0.609 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.6 -39.93 92.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 0.0 110.387 -179.177 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.16 -40.51 94.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.062 -1.024 . . . . 0.0 110.628 -178.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -39.52 96.35 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.8 mt -68.75 -40.04 80.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.778 -0.836 . . . . 0.0 110.576 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -49.35 78.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.032 -1.042 . . . . 0.0 110.051 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.68 -40.17 92.09 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.968 -1.083 . . . . 0.0 108.49 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 -27.79 64.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.556 -0.715 . . . . 0.0 110.209 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.7 tt0 -60.51 138.79 57.97 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.547 -178.839 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -172.99 166.91 5.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.633 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.41 165.64 1.45 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.906 -1.121 . . . . 0.0 109.756 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -72.86 92.87 1.64 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.228 -0.92 . . . . 0.0 110.266 -178.586 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -102.38 -162.57 0.93 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.601 -0.687 . . . . 0.0 109.829 179.755 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.03 -30.68 68.02 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -60.29 -39.01 85.42 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.541 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.86 -39.72 86.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.19 -0.944 . . . . 0.0 109.225 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -60.11 -41.12 91.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.785 -1.197 . . . . 0.0 108.626 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -106.64 90.24 3.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.402 -0.811 . . . . 0.0 109.388 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -70.13 -25.92 63.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 0.0 109.544 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -60.72 -40.05 90.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.181 -0.95 . . . . 0.0 110.468 -179.409 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.25 95.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.98 -1.075 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.464 ' C ' ' SD ' ' A' ' 22' ' ' MET . 14.6 tmm? -63.54 -40.02 95.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.402 -0.811 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -42.27 96.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.116 -0.99 . . . . 0.0 109.33 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -67.65 -40.13 84.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.342 -0.849 . . . . 0.0 110.106 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -60.94 -39.93 91.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -98.4 0.04 44.59 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.382 -0.824 . . . . 0.0 109.142 179.72 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 54.81 47.31 22.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.627 -0.67 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -118.35 151.3 49.28 Favored Pre-proline 0 N--CA 1.504 2.246 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.171 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.6 Cg_endo -69.47 150.68 70.31 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.504 1.47 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.37 -21.35 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.098 1.865 . . . . 0.0 112.664 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.3 t -60.08 -49.88 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.935 -1.103 . . . . 0.0 111.211 -177.979 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.58 -40.71 82.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 108.853 -179.773 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.534 -0.729 . . . . 0.0 110.012 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.9 -37.72 83.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -41.36 91.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.765 -1.209 . . . . 0.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.22 -40.13 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.818 -1.176 . . . . 0.0 108.108 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.76 -40.01 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.45 0.643 . . . . 0.0 109.293 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.511 -0.743 . . . . 0.0 109.849 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -72.92 -40.0 65.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.919 . . . . 0.0 110.232 -179.154 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.83 112.82 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.057 -1.027 . . . . 0.0 109.179 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.31 -39.91 88.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.442 -0.786 . . . . 0.0 110.819 -179.167 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.76 -39.96 90.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 0.0 110.114 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.74 -27.91 55.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.091 -1.006 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -74.82 -72.56 0.29 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.441 -0.787 . . . . 0.0 110.559 -177.917 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 110.95 9.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.324 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -89.98 -79.98 0.33 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.14 -0.975 . . . . 0.0 109.96 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.53 154.1 50.73 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -75.17 138.86 42.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.289 -1.124 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.73 -44.14 2.23 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.334 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 ttm -66.88 138.46 57.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 110.043 -179.704 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -83.92 171.22 13.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.575 -0.703 . . . . 0.0 109.598 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.17 9.06 0.05 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -131.22 46.72 2.63 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.543 -0.975 . . . . 0.0 109.641 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.37 124.35 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.251 -0.905 . . . . 0.0 109.344 179.773 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.416 -179.909 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.374 0.607 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.55 -39.96 92.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.418 -0.801 . . . . 0.0 110.363 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -65.13 -40.38 94.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.098 -1.001 . . . . 0.0 110.797 -178.994 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.54 96.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 77.3 mt -68.7 -40.0 81.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.804 -0.821 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.92 -49.23 78.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.101 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.82 -39.95 91.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.003 -1.061 . . . . 0.0 108.405 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.4 63.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.608 -0.682 . . . . 0.0 110.339 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -60.89 138.53 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.955 -1.091 . . . . 0.0 109.675 -178.914 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -172.82 166.98 5.26 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.63 165.94 1.49 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.912 -1.118 . . . . 0.0 109.682 -179.134 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -73.01 92.6 1.67 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.208 -0.932 . . . . 0.0 110.329 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -102.06 -162.61 0.94 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.557 -0.714 . . . . 0.0 109.753 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.8 -31.0 68.66 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.844 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -60.02 -38.83 83.84 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.584 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.094 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.9 p -59.98 -41.09 91.25 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.962 -1.095 . . . . 0.0 108.626 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -106.71 90.01 3.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.372 -0.83 . . . . 0.0 109.465 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.06 -25.59 63.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.038 -1.039 . . . . 0.0 109.727 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -61.06 -40.05 92.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.016 -1.053 . . . . 0.0 110.271 -179.389 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.15 95.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.041 -1.037 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.473 ' C ' ' SD ' ' B' ' 22' ' ' MET . 14.6 tmm? -63.7 -40.01 95.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.82 . . . . 0.0 109.254 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.34 95.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.376 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.2 m -67.69 -39.92 84.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.277 -0.889 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.818 -179.162 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -98.3 -0.19 44.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.24 -0.913 . . . . 0.0 109.216 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 55.18 46.83 23.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.596 -0.69 . . . . 0.0 110.707 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -117.95 151.55 49.03 Favored Pre-proline 0 N--CA 1.502 2.148 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.67 150.82 69.27 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.541 1.494 . . . . 0.0 111.336 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -41.43 -21.45 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.148 1.899 . . . . 0.0 112.669 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.7 t -60.05 -50.06 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.915 -1.115 . . . . 0.0 111.27 -178.194 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.42 -40.89 82.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.824 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.17 96.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.528 -0.733 . . . . 0.0 110.05 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.8 -37.7 82.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 110.016 179.316 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.94 -41.33 91.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.834 -1.166 . . . . 0.0 109.429 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -40.07 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.817 -1.177 . . . . 0.0 108.049 179.274 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.73 -40.02 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.507 0.67 . . . . 0.0 109.359 179.297 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.75 94.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 109.852 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -73.05 -39.95 65.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.928 . . . . 0.0 110.266 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.88 112.58 13.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.005 -1.059 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.07 -40.14 88.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.826 -179.258 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.63 -40.06 90.56 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 m -76.41 -27.93 56.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.177 -0.952 . . . . 0.0 109.745 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -75.05 -72.31 0.31 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.343 -0.848 . . . . 0.0 110.532 -177.733 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -74.39 111.03 9.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 109.312 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -90.11 -79.95 0.33 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.051 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 154.54 50.9 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -75.46 138.72 41.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -1.136 . . . . 0.0 109.882 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.58 -44.51 2.23 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.49 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.8 ttm -66.57 138.68 57.65 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.973 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -84.01 171.56 12.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.512 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.8 9.45 0.05 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -131.42 46.86 2.6 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.42 -1.047 . . . . 0.0 109.544 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.5 t -97.47 124.45 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.296 -0.877 . . . . 0.0 109.159 179.776 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.24 179.877 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.351 0.596 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.11 -39.92 91.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.361 -0.837 . . . . 0.0 110.292 -179.526 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.16 -44.1 97.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.04 -179.143 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.01 94.99 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.9 mt -65.61 -39.93 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.486 -1.009 . . . . 0.0 109.476 179.604 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.98 -48.64 80.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.283 -0.885 . . . . 0.0 109.814 -179.209 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.9 -40.95 78.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 0.0 109.13 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.63 64.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -61.6 139.68 58.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.067 . . . . 0.0 109.34 -178.862 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.75 170.35 14.09 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.81 151.89 28.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.102 -0.999 . . . . 0.0 110.059 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -66.03 80.08 0.08 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.363 -0.836 . . . . 0.0 110.12 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -101.01 -156.63 0.56 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.463 -0.773 . . . . 0.0 109.09 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.09 -32.16 70.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.945 . . . . 0.0 109.608 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -59.97 -37.44 79.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.739 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -59.87 -40.13 87.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.974 -1.079 . . . . 0.0 109.554 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -60.01 -41.06 91.33 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.684 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -97.81 86.34 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 108.879 178.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -70.02 -26.52 64.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 -179.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.06 -40.0 92.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.136 -0.977 . . . . 0.0 109.472 -179.459 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.11 89.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -0.917 . . . . 0.0 109.363 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -61.16 -42.1 97.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.463 -0.773 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.66 99.81 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.524 -0.735 . . . . 0.0 110.178 -179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.05 -40.06 92.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.935 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -100.26 -0.38 38.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.282 -0.886 . . . . 0.0 109.902 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 56.12 42.41 28.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.392 -0.817 . . . . 0.0 110.076 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 mt -113.84 151.72 44.98 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.8 Cg_endo -70.01 149.47 65.37 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.208 1.272 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.76 -18.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.111 1.874 . . . . 0.0 112.74 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' PRO . 57.4 t -60.09 -49.94 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.896 -1.128 . . . . 0.0 110.969 -177.901 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.89 -43.25 86.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.853 -1.154 . . . . 0.0 109.63 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.36 96.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.116 -0.99 . . . . 0.0 109.234 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -60.42 -38.3 83.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.928 . . . . 0.0 109.774 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.94 -42.82 94.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.507 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.62 -40.15 85.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.087 -1.008 . . . . 0.0 108.81 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.88 -40.02 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.313 -0.867 . . . . 0.0 109.521 179.561 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.28 -38.95 91.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.455 -0.778 . . . . 0.0 109.51 -179.603 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.52 -40.01 64.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.725 -179.753 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -76.29 113.75 14.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.223 -0.923 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.09 -39.98 94.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.49 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.12 -40.43 89.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.0 110.723 -179.123 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -78.17 -30.63 49.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.912 -1.117 . . . . 0.0 109.738 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.55 -70.04 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.059 -178.771 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.6 134.65 45.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.162 -0.961 . . . . 0.0 109.817 -179.398 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -90.03 -17.49 27.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.39 21.85 57.71 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -90.02 13.53 14.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.427 -1.043 . . . . 0.0 109.487 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.74 136.25 10.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.596 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.442 ' O ' ' O ' ' B' ' 50' ' ' MET . 63.7 mtt -69.66 140.05 53.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.414 -179.725 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -156.29 146.14 21.11 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.363 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.58 152.15 20.25 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -89.98 0.32 57.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.319 -1.107 . . . . 0.0 108.78 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 54' ' ' VAL . 31.5 m -93.46 141.78 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.426 -0.796 . . . . 0.0 109.845 -179.586 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' OXT' ' A' ' 55' ' ' ASP . 41.1 t0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.512 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.08 -40.07 92.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.257 -0.902 . . . . 0.0 110.358 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.94 -44.25 97.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.0 110.084 -179.211 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.07 -38.93 95.06 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 5' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 9' ' ' GLN . 62.0 mt -65.44 -40.06 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.496 -1.002 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.98 -48.53 81.33 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.789 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -69.0 -40.92 78.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.088 -1.007 . . . . 0.0 109.191 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.38 64.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.735 -0.603 . . . . 0.0 110.245 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 9' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.9 tt0 -61.59 139.79 58.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.051 . . . . 0.0 109.311 -179.004 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -166.1 170.2 13.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.6 152.25 26.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.993 -179.276 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -66.51 80.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.07 -156.58 0.56 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.496 -0.753 . . . . 0.0 109.09 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -70.02 -32.19 70.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.664 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -37.35 79.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.748 -179.389 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.966 -1.084 . . . . 0.0 109.54 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.6 p -60.0 -41.06 91.3 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.925 -1.109 . . . . 0.0 108.627 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -97.76 86.31 3.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.43 -0.794 . . . . 0.0 108.988 179.026 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.02 -26.57 64.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.213 -0.929 . . . . 0.0 109.529 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -61.11 -40.01 92.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 0.0 109.424 -179.39 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.15 89.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.975 . . . . 0.0 109.354 179.705 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.06 -42.37 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.482 -0.761 . . . . 0.0 109.683 -179.644 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.86 99.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.679 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.0 t -69.01 -40.01 78.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 0.0 110.187 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.07 -39.99 91.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 0.0 110.091 -179.382 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.39 -0.38 38.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.662 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 56.12 42.44 28.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.489 -0.757 . . . . 0.0 110.084 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.89 151.6 44.91 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.408 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.4 Cg_endo -69.95 149.26 65.42 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.286 1.324 . . . . 0.0 110.93 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.62 -19.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.161 1.907 . . . . 0.0 112.628 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.9 t -59.95 -50.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.876 -1.14 . . . . 0.0 111.106 -177.953 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.8 -43.28 86.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 120.903 -1.123 . . . . 0.0 109.569 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.59 97.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 109.211 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -60.19 -38.31 82.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.211 -0.931 . . . . 0.0 109.768 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.92 -42.94 95.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 109.545 -179.072 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.52 -39.96 84.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.146 -0.972 . . . . 0.0 108.938 179.887 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.06 -40.0 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.422 -0.799 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.24 -39.0 92.13 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.494 -0.754 . . . . 0.0 109.493 -179.547 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.6 m -73.49 -39.95 64.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.787 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.33 113.83 14.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.05 -40.03 94.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 110.498 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.16 -40.26 89.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 110.739 -179.055 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.38 -30.59 47.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.998 -1.064 . . . . 0.0 109.676 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -79.57 -70.07 0.54 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 110.028 -178.764 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.51 134.66 45.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.202 -0.936 . . . . 0.0 109.836 -179.337 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -89.99 -17.34 28.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.4 -0.812 . . . . 0.0 109.591 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 21.81 58.01 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -89.92 13.49 14.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.372 -1.075 . . . . 0.0 109.462 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 136.41 10.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.14 -0.975 . . . . 0.0 109.636 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' MET . 63.3 mtt -69.9 139.92 53.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.227 -0.921 . . . . 0.0 109.388 -179.722 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -156.14 145.86 21.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.417 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.27 152.08 20.28 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -89.96 0.23 57.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -1.052 . . . . 0.0 108.674 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.6 m -93.44 141.64 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.464 -0.773 . . . . 0.0 109.881 -179.564 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' OXT' ' OD1' ' B' ' 55' ' ' ASP . 41.7 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.517 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.344 0.592 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.91 -40.9 94.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.383 -0.823 . . . . 0.0 110.814 -178.851 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.98 -45.68 93.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.269 -179.099 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.8 96.37 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 179.797 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.08 -39.9 87.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.618 -0.931 . . . . 0.0 110.175 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.26 -43.57 96.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.718 -1.239 . . . . 0.0 109.995 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.62 -40.42 76.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.0 -1.062 . . . . 0.0 108.628 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.02 68.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.532 -0.73 . . . . 0.0 110.084 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.07 139.93 57.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.894 -1.129 . . . . 0.0 109.099 -178.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -169.07 159.88 9.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 109.17 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.48 162.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.502 -0.749 . . . . 0.0 110.207 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 75.6 t60 -71.07 70.86 0.54 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -82.25 -174.17 4.97 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.566 -0.709 . . . . 0.0 109.718 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -68.46 -24.93 64.76 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.06 -33.77 72.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 109.66 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -59.96 -40.81 90.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.876 -1.14 . . . . 0.0 109.229 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -60.91 -46.95 88.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 108.186 179.31 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.29 79.32 4.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.566 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -69.97 -23.34 63.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 -179.56 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.95 -40.19 92.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 0.0 110.322 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.16 96.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.893 -1.13 . . . . 0.0 109.403 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.0 ttp -62.99 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.719 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.42 -46.43 88.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 109.367 179.672 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 110.087 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.44 -0.788 . . . . 0.0 109.82 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.46 1.3 43.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.891 . . . . 0.0 109.707 -179.83 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 54.37 47.69 22.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.415 -0.803 . . . . 0.0 110.465 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -119.67 150.75 50.86 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.222 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 50.3 Cg_endo -69.77 152.15 69.16 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.588 1.525 . . . . 0.0 111.073 179.617 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -42.55 -17.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.101 1.867 . . . . 0.0 112.472 -179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' PRO . 98.0 t -60.02 -54.66 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.978 -1.076 . . . . 0.0 111.179 -178.312 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.88 -40.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.1 -1.0 . . . . 0.0 108.983 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.89 86.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.98 -39.81 95.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.929 -1.107 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.55 -40.27 90.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.843 -1.161 . . . . 0.0 109.7 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.1 -39.93 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.058 -1.026 . . . . 0.0 108.401 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.15 -40.17 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.09 69.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 109.947 -179.313 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -73.07 -33.91 65.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.123 -0.986 . . . . 0.0 109.483 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.64 112.04 11.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.0 109.403 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -40.09 89.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.494 -0.754 . . . . 0.0 110.379 -179.815 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.25 -41.21 92.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 52.9 m -77.92 -29.96 50.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.773 -179.805 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.1 -69.85 0.54 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.471 -0.768 . . . . 0.0 111.47 -177.625 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.5 129.09 38.3 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.885 -1.134 . . . . 0.0 110.192 -178.623 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -90.83 -167.48 1.83 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.881 . . . . 0.0 108.931 179.191 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.15 163.29 0.79 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.28 140.9 54.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.995 -1.297 . . . . 0.0 110.109 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -83.04 150.83 26.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.415 -0.803 . . . . 0.0 109.718 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.4 ptm -89.98 146.27 24.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.7 -41.12 94.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.236 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.12 -150.14 19.93 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 -179.649 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.6 130.67 34.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -1.218 . . . . 0.0 109.371 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.09 133.6 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.343 -0.848 . . . . 0.0 109.344 179.887 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.841 -179.566 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.327 0.584 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.16 -40.39 93.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.53 -45.5 93.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 110.125 -179.132 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.76 -38.43 95.92 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.04 -39.96 87.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.583 -0.951 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.99 -43.57 95.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.774 -1.204 . . . . 0.0 110.101 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.76 -40.37 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.89 -1.131 . . . . 0.0 108.651 179.401 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.72 67.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 110.3 179.421 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.16 139.41 58.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.1 -1.0 . . . . 0.0 109.223 -178.934 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -168.52 159.99 10.65 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.296 -0.877 . . . . 0.0 109.31 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.8 162.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.326 -0.858 . . . . 0.0 110.1 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.471 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 75.2 t60 -71.0 70.99 0.53 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.361 -0.837 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.28 -174.49 5.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.588 -0.695 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.73 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -59.98 -33.61 72.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.713 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -40.42 89.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.872 -1.143 . . . . 0.0 109.311 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -61.28 -46.76 88.99 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.126 . . . . 0.0 108.209 179.199 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.39 78.96 4.41 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.612 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -69.86 -23.09 63.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.909 . . . . 0.0 109.755 -179.566 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -61.15 -40.06 92.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.0 110.291 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.917 -1.115 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.7 ttp -63.02 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.423 -0.798 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.38 -46.26 89.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 109.282 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.04 -39.82 93.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.844 . . . . 0.0 110.171 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -61.79 -39.98 93.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.942 -179.582 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -99.53 0.69 42.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.222 -0.924 . . . . 0.0 109.673 -179.705 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.4 m-20 55.17 47.26 22.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.327 -0.858 . . . . 0.0 110.395 179.487 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -119.57 150.76 50.64 Favored Pre-proline 0 N--CA 1.502 2.149 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.2 Cg_endo -69.93 152.44 68.43 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.551 1.501 . . . . 0.0 111.256 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.8 -17.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.974 1.783 . . . . 0.0 112.456 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.4 t -60.05 -54.4 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.09 -1.006 . . . . 0.0 111.189 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.15 -40.98 83.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.295 -0.878 . . . . 0.0 108.949 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.98 85.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.511 -0.743 . . . . 0.0 109.939 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.74 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.965 -1.084 . . . . 0.0 110.234 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.37 -40.47 90.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.95 -1.094 . . . . 0.0 109.785 -179.499 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.62 -40.34 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.881 -1.137 . . . . 0.0 108.093 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.32 -39.9 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.651 -0.655 . . . . 0.0 109.277 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.68 68.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.411 -0.806 . . . . 0.0 110.099 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -73.34 -33.72 65.27 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.56 112.1 11.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 109.244 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.76 -39.91 90.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.394 -0.816 . . . . 0.0 110.41 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.04 -41.36 92.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 110.189 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 43' ' ' CYS . . . . . 0.471 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 46.6 m -77.94 -30.03 50.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.008 -1.058 . . . . 0.0 109.726 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.15 -69.98 0.54 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.37 129.09 38.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.854 -1.153 . . . . 0.0 110.115 -178.791 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -90.86 -167.55 1.85 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 108.94 179.254 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.03 163.38 0.75 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.495 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.48 140.43 54.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 109.951 -179.412 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -82.36 150.7 27.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.444 -0.785 . . . . 0.0 109.863 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptm -90.07 146.0 24.65 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.177 -0.952 . . . . 0.0 109.655 179.674 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -60.27 -41.08 92.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.109 -0.994 . . . . 0.0 109.657 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.98 -150.19 19.91 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 -179.627 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -86.38 130.95 34.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.249 -1.148 . . . . 0.0 109.359 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.4 133.17 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.369 -0.832 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.793 -179.439 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.522 0.677 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.08 -40.11 92.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.524 -179.384 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 8.9 p-10 -61.49 -49.79 75.33 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -179.069 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.61 -38.14 86.26 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.652 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -1.027 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -69.45 -40.0 77.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 108.675 179.275 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -27.42 63.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 110.092 179.615 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.63 126.18 26.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 0.0 109.73 -178.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -148.1 -164.12 1.94 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.45 -0.781 . . . . 0.0 109.15 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 43.1 mp0 -75.07 158.42 33.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.734 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.37 77.06 2.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.548 -179.677 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.86 -156.44 0.56 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.384 -0.823 . . . . 0.0 109.581 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.32 -30.42 68.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -60.0 -38.9 83.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.372 -0.83 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.99 -39.99 87.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.973 -1.08 . . . . 0.0 108.431 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -67.67 -39.99 84.48 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.955 -1.091 . . . . 0.0 108.536 179.199 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -94.05 80.71 4.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 109.11 179.382 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -70.06 -27.57 64.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -60.1 -40.04 88.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 -179.07 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.49 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.574 ' CE ' HD12 ' A' ' 36' ' ' ILE . 59.6 ttp -64.12 -40.88 97.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.255 -0.903 . . . . 0.0 109.452 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.63 -40.52 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.042 -1.036 . . . . 0.0 108.949 179.882 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -68.8 -39.9 79.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.499 -0.751 . . . . 0.0 110.287 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -61.56 -39.95 92.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.763 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.92 -1.38 40.14 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.409 -0.807 . . . . 0.0 109.519 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 84.7 m-20 53.95 45.92 26.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.74 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.98 151.2 44.61 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.7 Cg_endo -71.61 149.35 55.12 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.593 1.529 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -40.95 -20.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.161 1.908 . . . . 0.0 112.56 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 59.8 t -59.87 -50.82 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.805 -1.184 . . . . 0.0 110.516 -177.824 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.61 -42.42 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.842 -1.161 . . . . 0.0 109.271 179.485 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.98 95.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.297 -0.877 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -62.0 -40.11 94.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.028 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 12.6 tm-20 -59.87 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.064 -1.022 . . . . 0.0 110.344 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD12 ' CE ' ' A' ' 22' ' ' MET . 15.8 mt -61.14 -40.02 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.744 -1.223 . . . . 0.0 108.173 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.1 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 108.765 179.072 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -67.7 -38.61 83.89 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.653 -0.655 . . . . 0.0 109.688 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.5 m -71.67 -40.12 69.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.315 -0.866 . . . . 0.0 109.853 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -76.32 115.07 15.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.09 -1.006 . . . . 0.0 109.229 179.773 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.17 -40.05 88.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 0.0 110.176 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -59.93 -42.27 93.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 109.855 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.04 -22.64 42.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -75.97 -71.44 0.38 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.173 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.54 92.96 4.1 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.21 -0.931 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -99.61 143.2 30.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.574 -0.704 . . . . 0.0 109.804 -179.672 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.89 -168.01 40.81 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.25 128.58 46.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -1.064 . . . . 0.0 109.906 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.8 -33.52 6.94 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.326 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mtm -87.12 154.21 20.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.42 -0.8 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -60.03 147.31 39.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.114 -0.991 . . . . 0.0 109.422 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.5 -111.1 3.29 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -62.89 126.0 25.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.191 -1.182 . . . . 0.0 108.835 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -150.58 15.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.108 -0.995 . . . . 0.0 109.334 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.639 -179.914 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.499 0.666 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.33 -39.96 92.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.581 -0.699 . . . . 0.0 110.531 -179.435 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 3' ' ' ASP . 9.1 p-10 -61.34 -50.0 74.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.944 . . . . 0.0 110.436 -179.173 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.05 85.85 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.579 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.66 -40.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.397 -1.061 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -59.93 -41.56 92.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.887 -1.133 . . . . 0.0 110.032 -178.718 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.29 -40.18 77.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.973 -1.079 . . . . 0.0 108.598 179.281 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.59 64.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.641 -0.662 . . . . 0.0 110.046 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.53 126.19 26.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.012 . . . . 0.0 109.734 -178.876 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -148.11 -163.89 1.88 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 42.9 mp0 -75.21 158.52 32.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 109.727 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -75.39 77.14 2.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 109.594 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.97 -156.72 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.475 -0.766 . . . . 0.0 109.515 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.16 -30.47 68.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.206 -0.934 . . . . 0.0 109.203 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -59.91 -38.98 83.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.148 -179.698 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.94 -40.0 87.48 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.181 -1.008 . . . . 0.0 108.5 179.593 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.6 p -67.55 -39.97 84.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.912 -1.118 . . . . 0.0 108.621 179.097 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.14 80.6 4.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.843 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -69.98 -27.53 64.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 109.688 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -60.04 -40.14 88.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.909 . . . . 0.0 109.678 -179.089 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.57 98.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.571 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' MET . . . . . 0.579 ' CE ' HD12 ' B' ' 36' ' ' ILE . 59.5 ttp -64.19 -41.12 97.22 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.243 -0.91 . . . . 0.0 109.461 -179.905 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.39 -40.58 96.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.149 -0.969 . . . . 0.0 109.021 179.852 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -68.6 -40.09 80.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.508 -0.745 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 109.747 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -99.03 -1.22 40.25 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.406 -0.809 . . . . 0.0 109.441 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.4 m-20 53.72 45.9 27.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.0 109.791 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.96 151.16 44.56 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 29' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 31' ' ' VAL . 59.6 Cg_endo -71.43 149.3 56.16 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.613 1.542 . . . . 0.0 111.363 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.96 -20.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.118 1.879 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' PRO . 62.2 t -59.87 -51.02 77.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.772 -1.205 . . . . 0.0 110.675 -177.776 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 -42.46 80.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.817 -1.177 . . . . 0.0 109.207 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.94 95.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.353 -0.842 . . . . 0.0 109.961 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -61.98 -39.96 93.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.095 -1.003 . . . . 0.0 110.087 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 35' ' ' GLU . . . . . 0.428 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 12.4 tm-20 -60.1 -39.92 87.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.079 -1.013 . . . . 0.0 110.376 -178.841 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' B' ' 22' ' ' MET . 16.2 mt -61.3 -39.89 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.771 -1.205 . . . . 0.0 108.169 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.02 -40.07 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.177 -0.952 . . . . 0.0 108.795 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -67.54 -38.82 84.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.677 -0.64 . . . . 0.0 109.726 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 39' ' ' SER . . . . . 0.428 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 61.0 m -71.51 -40.04 70.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.254 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.45 114.86 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.125 -0.985 . . . . 0.0 109.157 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -60.1 -40.01 88.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.452 -0.78 . . . . 0.0 110.155 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.08 -42.22 94.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.083 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.12 -22.44 42.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.858 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -76.23 -71.19 0.4 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.183 -0.948 . . . . 0.0 110.259 -178.45 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.82 92.93 4.27 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.155 -0.966 . . . . 0.0 108.786 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -99.56 143.03 30.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.54 -0.725 . . . . 0.0 109.852 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.89 -168.06 40.87 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -100.2 128.15 46.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.308 -1.113 . . . . 0.0 109.914 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.48 -33.37 7.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.504 -0.748 . . . . 0.0 108.986 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mtm -87.34 154.28 20.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.5 -0.75 . . . . 0.0 109.168 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -59.97 147.19 39.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.025 -1.047 . . . . 0.0 109.507 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.45 -111.4 3.32 Favored Glycine 0 N--CA 1.501 3.014 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -62.95 126.46 27.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -1.187 . . . . 0.0 108.724 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 p -150.69 15.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.158 -0.964 . . . . 0.0 109.42 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.53 -179.77 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.392 0.615 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.7 -41.31 94.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.547 -0.72 . . . . 0.0 111.009 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.11 -41.11 99.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.969 -1.082 . . . . 0.0 110.062 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.47 96.08 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.34 -39.94 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.517 -0.99 . . . . 0.0 110.288 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.06 -46.67 88.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.996 -1.065 . . . . 0.0 109.784 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -69.58 -40.08 76.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.874 -1.141 . . . . 0.0 109.132 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.42 132.74 53.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.208 -0.933 . . . . 0.0 110.196 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 4.0 tp10 -158.31 -149.61 0.23 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 79.8 mt-10 -80.95 155.1 26.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.053 -1.03 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.32 78.72 1.0 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.423 -0.798 . . . . 0.0 109.158 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -100.38 -155.98 0.53 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.369 -0.832 . . . . 0.0 109.911 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -69.77 -30.9 68.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.417 -0.802 . . . . 0.0 109.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -59.94 -39.99 87.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.461 -0.774 . . . . 0.0 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.39 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -60.41 -49.03 79.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.946 -1.097 . . . . 0.0 108.866 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -95.37 91.56 6.29 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.341 -0.849 . . . . 0.0 108.868 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.02 -27.28 64.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 110.009 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -39.98 88.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.153 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.83 94.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.083 -1.011 . . . . 0.0 109.561 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.89 -42.35 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.022 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.74 95.32 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.14 -0.975 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -70.06 -39.98 75.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 109.749 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.75 -39.98 90.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 109.976 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -99.22 0.56 43.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.313 -0.867 . . . . 0.0 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 53.27 44.74 29.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.793 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.2 mt -113.37 150.91 43.88 Favored Pre-proline 0 N--CA 1.499 2.017 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.9 Cg_endo -67.95 145.35 67.68 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 121.287 1.324 . . . . 0.0 110.805 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.23 -18.1 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.313 2.009 . . . . 0.0 113.087 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.2 t -59.98 -50.05 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.95 -1.094 . . . . 0.0 110.693 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.71 -41.98 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.8 -1.188 . . . . 0.0 109.58 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 110.279 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.9 -39.46 89.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -0.983 . . . . 0.0 110.162 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.59 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.849 -1.157 . . . . 0.0 108.809 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.84 -40.03 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.43 -0.794 . . . . 0.0 108.904 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.75 89.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.586 -0.696 . . . . 0.0 109.671 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -72.7 -39.96 66.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 110.278 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 t -75.85 112.62 12.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.988 -1.07 . . . . 0.0 108.754 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 110.365 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.88 -39.99 91.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.086 -1.009 . . . . 0.0 109.997 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -77.71 -27.72 50.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.87 -1.143 . . . . 0.0 110.089 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 . . . . . 0 N--CA 1.493 1.722 0 O-C-N 121.147 -0.97 . . . . 0.0 110.56 -178.436 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.445 0.64 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.48 -41.7 94.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 110.959 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.89 -40.94 99.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -38.47 96.17 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.25 -40.0 85.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.519 -0.989 . . . . 0.0 110.269 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.98 -46.87 88.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.943 -1.098 . . . . 0.0 109.816 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.49 -40.04 77.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.138 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.06 80.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.516 -0.74 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.63 133.18 54.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 4.0 tp10 -158.68 -149.55 0.22 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.415 -0.803 . . . . 0.0 109.12 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 80.0 mt-10 -80.84 155.17 26.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.073 -1.017 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.57 78.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 0.0 109.072 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -100.3 -155.84 0.53 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.419 -0.8 . . . . 0.0 109.858 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -69.91 -30.8 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.08 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.389 -0.819 . . . . 0.0 109.005 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.07 -40.93 91.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.16 -0.963 . . . . 0.0 109.43 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -60.17 -49.1 78.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.859 -1.15 . . . . 0.0 108.911 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -95.25 91.43 6.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.164 -0.96 . . . . 0.0 109.001 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -70.01 -27.22 64.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.957 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.198 -0.939 . . . . 0.0 110.048 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.81 94.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 109.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.4 ttp -60.91 -42.24 97.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.64 95.37 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -70.0 -40.03 75.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 109.752 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.71 -40.0 90.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.926 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -99.21 0.5 43.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 109.505 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 53.31 44.74 29.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.406 -0.809 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -113.4 150.89 43.86 Favored Pre-proline 0 N--CA 1.501 2.103 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 31' ' ' VAL . 40.1 Cg_endo -67.84 145.33 68.27 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.309 1.339 . . . . 0.0 110.809 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -40.22 -18.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.343 2.029 . . . . 0.0 113.112 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.2 t -59.94 -49.93 82.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.958 -1.089 . . . . 0.0 110.711 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.8 -42.0 85.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.799 -1.188 . . . . 0.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.45 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.193 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -61.11 -39.28 89.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.144 -0.972 . . . . 0.0 110.239 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.967 -1.083 . . . . 0.0 109.609 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -39.98 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.872 -1.142 . . . . 0.0 108.87 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.85 -39.98 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.842 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.92 89.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.556 -0.715 . . . . 0.0 109.634 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.4 m -72.62 -40.01 66.81 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.893 . . . . 0.0 110.309 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.74 112.56 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.964 -1.085 . . . . 0.0 108.667 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.97 -39.98 91.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.103 -0.998 . . . . 0.0 109.949 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 m -77.75 -27.57 50.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.957 -1.089 . . . . 0.0 110.149 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.058 . . . . 0.0 110.646 -178.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.484 0.659 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.27 -39.99 88.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.491 -0.756 . . . . 0.0 110.144 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.08 -49.98 75.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.171 -0.956 . . . . 0.0 110.412 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.99 96.64 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.4 mt -64.77 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.99 . . . . 0.0 110.247 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.0 -47.87 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.038 -1.039 . . . . 0.0 109.56 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.37 -40.06 81.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.164 -0.96 . . . . 0.0 108.998 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.82 70.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.566 -0.709 . . . . 0.0 109.872 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.5 tt0 -61.19 127.16 30.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.388 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -149.29 -164.44 2.03 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.419 -0.801 . . . . 0.0 109.173 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -79.88 156.21 27.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.428 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 67.0 t60 -69.61 72.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.2 -0.937 . . . . 0.0 109.467 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.08 -151.19 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.9 -30.99 68.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.215 -0.928 . . . . 0.0 109.922 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -59.98 -39.98 87.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.08 -1.012 . . . . 0.0 109.786 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.43 -39.99 89.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.01 -1.056 . . . . 0.0 109.56 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -61.19 -45.29 95.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.093 . . . . 0.0 109.227 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -96.32 89.9 5.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.279 -0.888 . . . . 0.0 109.346 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -70.02 -27.18 64.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.16 -0.962 . . . . 0.0 109.247 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.57 -39.92 89.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.73 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.002 -1.061 . . . . 0.0 108.83 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -62.71 -43.12 99.64 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.505 -0.747 . . . . 0.0 109.532 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.03 -44.24 96.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.119 -0.988 . . . . 0.0 109.816 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.7 m -68.33 -40.05 81.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.32 -41.82 94.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 110.334 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -102.33 -0.01 33.45 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.44 -0.788 . . . . 0.0 110.031 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.7 m-20 55.82 43.15 28.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.498 -0.751 . . . . 0.0 110.786 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.41 150.93 43.35 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -68.38 149.38 75.09 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 121.555 1.503 . . . . 0.0 111.288 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.73 -18.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.114 1.876 . . . . 0.0 112.4 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.5 t -59.98 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.046 -1.034 . . . . 0.0 110.793 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.72 -43.45 82.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.789 -1.194 . . . . 0.0 109.249 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.76 93.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.256 -0.903 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.52 -40.05 96.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 35' ' ' GLU . 2.7 tm-20 -60.82 -40.03 91.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.859 -1.15 . . . . 0.0 109.572 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.8 mt -61.8 -40.0 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.984 -1.073 . . . . 0.0 108.664 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.89 -39.99 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.62 78.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.648 . . . . 0.0 109.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.75 -37.58 65.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.011 . . . . 0.0 110.271 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -74.84 114.73 13.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.837 -1.164 . . . . 0.0 109.371 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.14 -39.95 88.11 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.239 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -61.32 -44.45 97.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.061 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.428 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 12.0 m -79.98 -32.52 39.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.017 -1.052 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 . . . . . 0 N--CA 1.492 1.666 0 O-C-N 121.459 -0.775 . . . . 0.0 112.058 -176.795 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.507 0.67 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.15 -40.07 88.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.377 -0.827 . . . . 0.0 110.139 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.03 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.113 -0.992 . . . . 0.0 110.406 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -40.03 96.7 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -1.028 . . . . 0.0 110.241 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.08 -47.88 84.06 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 109.516 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.27 -39.97 82.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.152 -0.968 . . . . 0.0 108.974 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -32.79 70.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.535 -0.728 . . . . 0.0 109.868 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.18 127.24 30.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.266 -0.896 . . . . 0.0 109.361 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -149.44 -164.35 2.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.425 -0.797 . . . . 0.0 109.158 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -79.97 156.29 27.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.377 -0.827 . . . . 0.0 109.64 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 66.7 t60 -69.63 71.99 0.34 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.077 -1.014 . . . . 0.0 109.515 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -100.92 -151.12 0.4 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.488 -0.757 . . . . 0.0 109.53 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.05 -30.74 68.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 109.927 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.941 -1.099 . . . . 0.0 109.571 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -61.08 -45.53 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.968 -1.083 . . . . 0.0 109.201 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -96.34 90.39 5.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.202 -0.936 . . . . 0.0 109.293 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -69.97 -27.37 64.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.187 -0.945 . . . . 0.0 109.275 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 110.079 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.075 -1.015 . . . . 0.0 108.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.444 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.9 ttm -62.6 -43.1 99.67 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.88 -44.34 96.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.858 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -68.29 -40.06 81.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.937 . . . . 0.0 110.082 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.4 -41.88 94.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.337 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -102.38 0.06 33.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.325 -0.86 . . . . 0.0 110.044 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 23' ' ' ALA . 95.7 m-20 55.8 42.9 28.56 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.809 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.97 150.87 43.02 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.3 Cg_endo -68.54 149.51 74.34 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.432 1.421 . . . . 0.0 111.413 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -40.69 -18.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.242 1.961 . . . . 0.0 112.42 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.8 t -60.11 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.031 -1.043 . . . . 0.0 110.688 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.76 -43.65 82.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.352 -0.842 . . . . 0.0 109.817 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.45 -40.02 96.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 110.032 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.418 ' O ' ' OE2' ' B' ' 35' ' ' GLU . 2.7 tm-20 -60.87 -39.95 91.16 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.959 -1.088 . . . . 0.0 109.603 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.444 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.2 mt -61.98 -39.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.061 -1.025 . . . . 0.0 108.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.88 -39.99 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.56 78.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.581 -0.7 . . . . 0.0 109.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -73.77 -37.59 64.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.103 -0.998 . . . . 0.0 110.255 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.94 114.73 13.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.88 -1.137 . . . . 0.0 109.313 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.21 -40.08 88.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.09 -44.44 97.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -0.96 . . . . 0.0 110.123 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 11.5 m -79.93 -32.42 40.08 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.029 -1.045 . . . . 0.0 110.449 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.382 -0.824 . . . . 0.0 112.059 -176.804 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.461 0.648 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.24 -40.05 94.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 110.492 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 -41.88 95.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.011 -1.055 . . . . 0.0 110.423 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.59 96.59 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.78 -40.19 85.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.607 -0.937 . . . . 0.0 110.332 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.95 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.764 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -68.55 -41.18 80.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.309 -0.957 . . . . 0.0 109.204 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.73 74.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.356 -0.84 . . . . 0.0 109.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.16 137.5 58.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.015 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.03 -174.96 3.5 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' GLU . 33.9 tt0 -62.6 149.95 41.92 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.179 -0.95 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.0 t60 -64.14 75.67 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.392 -0.818 . . . . 0.0 109.849 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 91.9 mt-10 -90.03 -162.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.477 -0.764 . . . . 0.0 109.847 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.53 -30.04 67.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.837 . . . . 0.0 109.958 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -59.88 -32.43 70.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.247 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.02 -40.29 88.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.77 -1.206 . . . . 0.0 109.348 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -60.4 -40.58 91.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.949 -1.094 . . . . 0.0 108.551 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.87 82.81 2.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.673 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -70.12 -26.8 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.186 -0.946 . . . . 0.0 109.486 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 20' ' ' ARG . 31.1 mtm-85 -61.42 -40.91 96.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.053 -1.029 . . . . 0.0 109.802 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.875 . . . . 0.0 109.434 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.87 -40.92 97.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.209 -0.932 . . . . 0.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.03 98.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.005 -1.06 . . . . 0.0 109.6 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.63 -40.18 76.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.424 -0.798 . . . . 0.0 110.319 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.12 -40.04 92.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.129 -0.982 . . . . 0.0 110.092 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -99.14 0.3 43.18 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.379 -0.825 . . . . 0.0 109.537 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.42 42.93 31.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.5 -0.75 . . . . 0.0 110.481 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -112.15 150.52 42.58 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.9 Cg_endo -68.7 147.23 69.18 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.602 1.535 . . . . 0.0 111.303 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.07 -18.77 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.401 2.067 . . . . 0.0 112.478 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -59.87 -50.18 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.02 . . . . 0.0 110.322 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -40.21 79.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.69 97.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.79 -39.03 87.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.262 -0.899 . . . . 0.0 109.531 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -59.9 -42.15 93.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 0.0 109.795 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.59 -40.75 87.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 120.9 -1.125 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.81 -39.94 84.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.209 -0.932 . . . . 0.0 108.944 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.99 -39.78 90.61 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.474 -0.766 . . . . 0.0 109.911 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -72.24 -37.53 69.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.184 -0.948 . . . . 0.0 109.994 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.6 t -75.14 107.65 7.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.956 -1.09 . . . . 0.0 109.26 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.01 -39.96 87.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.373 -0.829 . . . . 0.0 110.395 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.16 -0.962 . . . . 0.0 109.651 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.5 m -73.21 -35.4 66.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.081 . . . . 0.0 109.212 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.506 -0.746 . . . . 0.0 110.592 -178.292 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.421 0.629 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.53 -40.23 93.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.69 -41.19 96.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.03 -1.044 . . . . 0.0 110.669 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.57 -37.64 94.68 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.27 -39.59 83.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.711 -0.876 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.66 -46.58 89.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -68.37 -41.26 80.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.142 -0.974 . . . . 0.0 109.204 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.51 74.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.527 -0.733 . . . . 0.0 109.943 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.3 137.78 58.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.04 -174.76 3.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 13' ' ' GLU . 33.9 tt0 -63.12 149.8 44.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.202 -0.936 . . . . 0.0 109.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -63.71 76.49 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.466 -0.771 . . . . 0.0 109.711 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 11' ' ' GLU . 91.8 mt-10 -91.19 -162.29 0.9 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.386 -0.821 . . . . 0.0 109.81 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.62 -29.8 67.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.544 -0.722 . . . . 0.0 110.025 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -60.07 -32.88 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.078 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.98 -40.23 88.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.74 -1.225 . . . . 0.0 109.37 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -60.58 -40.24 91.0 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.919 -1.113 . . . . 0.0 108.8 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.08 82.7 2.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.472 -0.768 . . . . 0.0 109.393 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.02 -27.37 64.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -61.06 -40.77 94.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.634 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttp -64.32 -41.12 96.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 0.0 109.681 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.92 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.029 -1.045 . . . . 0.0 109.49 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.8 t -69.97 -40.1 75.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.488 -0.758 . . . . 0.0 110.314 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.97 -40.06 91.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -99.23 0.41 43.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.271 -0.893 . . . . 0.0 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.37 43.16 30.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.473 -0.767 . . . . 0.0 110.478 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -111.86 150.92 43.05 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.8 Cg_endo -68.66 147.31 69.59 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.565 1.51 . . . . 0.0 111.3 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -40.27 -18.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.3 2.0 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.6 t -59.85 -50.2 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.07 -1.019 . . . . 0.0 110.51 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.23 -40.27 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.086 -1.008 . . . . 0.0 108.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.42 96.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.682 -0.636 . . . . 0.0 109.652 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -60.99 -38.68 86.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.0 109.32 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.0 -42.12 93.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.81 -40.61 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 120.848 -1.158 . . . . 0.0 109.074 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.03 -40.24 85.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -65.9 -39.56 90.73 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.493 -0.755 . . . . 0.0 109.836 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -71.96 -38.85 69.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.34 -0.85 . . . . 0.0 110.06 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 t -74.46 108.15 7.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.906 -1.121 . . . . 0.0 109.24 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.61 -39.61 88.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.506 -0.746 . . . . 0.0 110.483 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.09 -39.77 87.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.049 -1.032 . . . . 0.0 109.593 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -73.71 -34.44 64.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.911 -1.118 . . . . 0.0 108.848 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 N--CA 1.487 1.389 0 O-C-N 121.651 -0.656 . . . . 0.0 110.581 -178.313 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.384 0.612 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.47 -40.27 90.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.441 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -61.91 -50.07 73.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.074 -1.016 . . . . 0.0 109.439 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.86 -36.88 89.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.65 -40.11 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -1.148 . . . . 0.0 109.735 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.18 -48.33 82.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.027 . . . . 0.0 109.667 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.9 -39.96 75.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.888 -1.132 . . . . 0.0 109.175 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -34.17 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.449 -0.782 . . . . 0.0 109.797 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.15 133.52 55.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.52 -164.63 2.07 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.252 -0.905 . . . . 0.0 110.091 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.15 154.34 39.14 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.334 -0.854 . . . . 0.0 109.493 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -73.32 67.83 1.02 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.314 -0.866 . . . . 0.0 109.227 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 18.8 tt0 -101.52 -149.52 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.658 -0.651 . . . . 0.0 109.682 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 66.7 mmtt -70.05 -32.41 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.777 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -60.42 -40.07 89.7 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.524 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -64.64 -45.1 88.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.121 -0.987 . . . . 0.0 108.901 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -91.95 81.09 5.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.176 -0.953 . . . . 0.0 108.818 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -70.03 -26.71 64.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.451 -0.78 . . . . 0.0 110.034 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -60.64 -40.32 91.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.12 88.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -60.55 -43.79 96.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.28 -0.887 . . . . 0.0 109.722 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.56 -44.88 95.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.669 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -67.27 -40.26 86.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 0.0 110.591 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.0 -40.49 97.92 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.232 -0.917 . . . . 0.0 109.933 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.27 4.37 44.14 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 52.61 46.49 26.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.0 110.433 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 mt -118.21 150.99 48.64 Favored Pre-proline 0 N--CA 1.506 2.332 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.4 Cg_endo -71.48 151.47 59.2 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.215 1.277 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.85 -18.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.076 1.851 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 76.0 t -60.01 -51.07 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 111.066 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.2 -42.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.874 -1.141 . . . . 0.0 109.534 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.42 99.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.083 -1.011 . . . . 0.0 109.716 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.11 -40.1 92.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.249 -0.907 . . . . 0.0 110.301 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -60.07 -39.83 87.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.847 -1.158 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' A' ' 22' ' ' MET . 12.1 mt -64.64 -40.19 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 108.252 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.64 -40.12 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.432 -0.793 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.23 76.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.775 . . . . 0.0 109.567 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.1 m -72.38 -38.83 68.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.633 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.65 112.32 9.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -60.3 -40.18 89.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.52 -0.737 . . . . 0.0 110.114 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.83 -45.09 93.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.74 -34.67 52.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.941 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.432 -178.42 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.412 0.625 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.45 -40.36 90.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 0.0 110.352 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 0.6 OUTLIER -61.73 -50.36 72.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.892 -1.13 . . . . 0.0 109.409 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.11 -36.91 84.11 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.88 -39.9 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -1.11 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -60.52 -47.72 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.098 -1.001 . . . . 0.0 109.981 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.86 -40.09 75.98 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.89 73.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.507 -0.745 . . . . 0.0 110.075 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.78 132.09 51.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 109.151 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -147.73 -165.0 2.14 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.157 -0.964 . . . . 0.0 110.124 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.84 155.44 38.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.544 -0.722 . . . . 0.0 109.256 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -74.06 68.27 1.38 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.316 -0.865 . . . . 0.0 109.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 20.2 tt0 -101.64 -149.74 0.39 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.554 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 66.2 mmtt -70.07 -32.15 70.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.396 -0.815 . . . . 0.0 109.779 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.71 -40.28 87.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.971 -1.081 . . . . 0.0 109.596 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.11 -40.23 88.95 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.883 -1.136 . . . . 0.0 108.556 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -64.17 -45.6 87.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.131 -0.981 . . . . 0.0 109.048 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -91.86 81.17 5.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.15 -0.969 . . . . 0.0 108.836 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -70.27 -25.76 63.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.328 -0.857 . . . . 0.0 110.307 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -61.23 -40.1 92.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.143 -0.973 . . . . 0.0 109.675 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.06 88.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.8 ttm -60.93 -44.13 97.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.507 -0.746 . . . . 0.0 109.546 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.48 -44.8 95.52 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.412 -0.805 . . . . 0.0 109.637 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -67.59 -40.03 84.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.663 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -63.02 -40.1 96.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.169 -0.957 . . . . 0.0 109.846 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.38 4.03 43.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.26 -0.9 . . . . 0.0 110.211 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 53.1 45.53 28.53 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.209 -0.932 . . . . 0.0 110.44 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 39.4 mt -117.31 150.77 46.98 Favored Pre-proline 0 N--CA 1.503 2.219 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.7 Cg_endo -71.5 150.46 57.68 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 121.372 1.382 . . . . 0.0 111.133 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -41.24 -18.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.183 1.922 . . . . 0.0 112.372 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -59.99 -50.86 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.779 -1.201 . . . . 0.0 110.961 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -68.89 -42.95 82.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 120.953 -1.092 . . . . 0.0 109.329 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.33 99.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.058 -1.026 . . . . 0.0 109.636 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.84 -39.59 89.64 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.148 -0.97 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -60.27 -40.04 88.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.864 -1.148 . . . . 0.0 109.514 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' B' ' 22' ' ' MET . 10.5 mt -64.06 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.92 -39.99 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.458 -0.777 . . . . 0.0 108.923 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.401 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.46 -33.1 73.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.625 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -72.78 -38.9 67.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.7 112.98 10.32 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 109.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.49 -40.27 90.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.453 -0.779 . . . . 0.0 109.96 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.67 -45.47 91.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.333 -0.855 . . . . 0.0 110.465 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -77.58 -34.42 53.61 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.729 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.2 tt0 . . . . . 0 N--CA 1.494 1.728 0 O-C-N 121.227 -0.921 . . . . 0.0 110.486 -178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 55.4 m-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.534 0.683 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.23 -41.7 93.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.765 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.08 -45.18 86.32 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.035 -1.041 . . . . 0.0 109.983 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.91 96.64 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.57 -40.02 83.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.584 -0.951 . . . . 0.0 110.164 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.2 -45.53 92.86 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.047 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.63 -40.45 76.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.032 -1.043 . . . . 0.0 109.066 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.09 74.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.558 -0.713 . . . . 0.0 110.748 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.16 124.37 20.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.098 -1.001 . . . . 0.0 110.007 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -149.55 -163.98 1.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.788 . . . . 0.0 109.467 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -70.99 152.93 43.08 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.333 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 75.1 t60 -64.47 75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 110.08 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 43.3 mt-10 -92.58 -169.78 2.3 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.706 0.765 . . . . 0.0 109.719 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.22 -27.22 65.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.739 -0.6 . . . . 0.0 109.598 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -58.78 -30.75 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.208 -0.932 . . . . 0.0 110.075 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -60.26 -40.08 89.05 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.696 -1.253 . . . . 0.0 108.783 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.6 p -63.12 -39.76 95.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -91.67 83.1 5.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 109.381 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -69.83 -26.82 64.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.05 -1.031 . . . . 0.0 109.672 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -40.59 92.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 0.0 109.562 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.67 97.52 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.189 -0.944 . . . . 0.0 109.534 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 36' ' ' ILE . 41.3 ttm -62.44 -46.09 90.11 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.367 -0.833 . . . . 0.0 109.754 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.01 -40.37 96.2 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.272 -0.893 . . . . 0.0 108.988 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.504 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -62.56 -40.32 96.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.052 . . . . 0.0 110.495 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.42 -2.78 26.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.5 m-20 53.69 50.1 17.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.409 -0.807 . . . . 0.0 110.729 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.73 149.54 46.61 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.319 -0.863 . . . . 0.0 109.517 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 51.1 Cg_exo -48.45 140.32 21.36 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.463 1.442 . . . . 0.0 110.99 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.76 -15.74 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.496 1.464 . . . . 0.0 111.599 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 71.4 t -60.09 -50.69 79.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.883 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.37 -45.39 96.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.898 -1.126 . . . . 0.0 109.674 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.64 96.81 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -62.68 -40.25 96.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.975 -1.078 . . . . 0.0 110.144 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.58 -40.14 95.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.861 -1.149 . . . . 0.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.438 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.2 mt -61.44 -43.69 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.041 -1.037 . . . . 0.0 109.314 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.57 -40.37 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.0 68.71 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.444 0.64 . . . . 0.0 109.696 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -70.68 -39.33 73.59 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.388 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.79 111.59 7.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.066 -1.021 . . . . 0.0 108.57 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -59.85 -40.38 88.37 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.265 -0.897 . . . . 0.0 110.652 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -59.79 -39.24 84.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.033 -1.042 . . . . 0.0 109.852 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -74.24 -34.88 63.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.093 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -178.456 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 64.6 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.287 0.565 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.17 -42.19 94.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.307 -0.871 . . . . 0.0 110.532 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.81 -45.79 88.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.136 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.52 95.94 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.61 -39.47 82.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.486 -1.008 . . . . 0.0 110.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.82 -47.11 87.85 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.954 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.03 -40.28 78.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 109.266 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -37.1 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.352 -0.842 . . . . 0.0 110.637 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.36 125.35 23.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.072 -1.017 . . . . 0.0 109.765 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -151.01 -165.18 2.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.44 -0.787 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 13' ' ' GLU . 45.4 mt-10 -70.16 151.48 45.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.479 -0.763 . . . . 0.0 109.67 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 73.1 t60 -63.71 74.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.025 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' GLU . 44.2 mt-10 -92.08 -168.63 2.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.83 -26.23 64.13 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.291 0.567 . . . . 0.0 109.848 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.22 -31.01 68.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.219 -0.926 . . . . 0.0 109.981 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.69 -39.47 88.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.702 -1.249 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -63.66 -40.17 96.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.038 -1.039 . . . . 0.0 109.359 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -91.46 83.43 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.37 -0.831 . . . . 0.0 109.228 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -70.39 -26.22 63.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.117 -0.989 . . . . 0.0 109.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.49 -40.46 91.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.592 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.7 98.25 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.142 -0.973 . . . . 0.0 109.105 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.443 ' SD ' HD12 ' B' ' 36' ' ' ILE . 43.2 ttm -61.76 -47.25 86.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.551 -0.718 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.4 -40.51 97.4 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.873 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t -67.58 -40.63 84.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 109.773 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 110.488 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -103.16 -3.89 25.18 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.171 -0.956 . . . . 0.0 110.038 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.72 49.88 18.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.43 -0.794 . . . . 0.0 110.642 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -117.97 149.71 45.95 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.282 -0.886 . . . . 0.0 109.431 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 31' ' ' VAL . 52.0 Cg_exo -47.97 140.02 19.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.23 1.286 . . . . 0.0 111.127 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.89 -15.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.456 1.437 . . . . 0.0 111.534 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' B' ' 29' ' ' PRO . 66.2 t -59.77 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.332 -0.855 . . . . 0.0 110.945 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.8 -45.61 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.892 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 110.1 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.83 -39.8 95.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.972 -1.08 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -62.24 -40.04 94.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.992 -1.068 . . . . 0.0 109.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.9 mt -62.7 -41.61 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.008 -1.058 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.64 -40.12 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.29 70.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.516 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -70.16 -39.32 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.533 -0.73 . . . . 0.0 109.814 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.5 112.7 8.79 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.911 -1.118 . . . . 0.0 108.675 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.456 -0.777 . . . . 0.0 110.944 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -60.73 -39.4 88.5 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.024 -1.047 . . . . 0.0 109.801 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.66 -34.69 65.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 110.158 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 110.564 -178.373 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.97 -40.33 92.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.457 -0.777 . . . . 0.0 110.267 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 23.9 p-10 -65.02 -48.26 74.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.137 -0.977 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' ASP . . . -55.47 -36.75 64.54 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.93 -39.83 85.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.422 -1.046 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -59.9 -47.25 86.54 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.482 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.49 -40.5 76.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.099 -1.0 . . . . 0.0 109.494 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.67 75.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.72 -0.613 . . . . 0.0 110.053 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.76 141.75 56.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.18 -0.95 . . . . 0.0 109.641 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.96 -176.9 4.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.425 -0.797 . . . . 0.0 109.905 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.33 158.09 12.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 110.081 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 71.6 t60 -77.62 73.75 4.19 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.208 -0.932 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -98.82 -160.86 0.83 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.545 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.37 -26.25 64.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 108.892 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -59.89 -37.95 80.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 108.756 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 0.0 108.851 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.6 p -61.2 -41.92 97.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.056 -1.028 . . . . 0.0 108.814 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -97.79 91.53 5.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.384 -0.823 . . . . 0.0 109.195 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -72.91 -24.74 60.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.115 -0.991 . . . . 0.0 109.874 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.4 -41.94 94.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.3 78.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.09 -41.15 99.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.0 109.9 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.01 96.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.296 -0.877 . . . . 0.0 108.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -69.06 -40.05 78.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.782 . . . . 0.0 109.715 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.26 -40.21 93.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.141 -0.974 . . . . 0.0 110.911 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.16 3.72 43.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.106 -0.996 . . . . 0.0 109.694 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m120 53.18 44.64 29.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.817 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.87 151.63 44.92 Favored Pre-proline 0 N--CA 1.501 2.111 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.27 160.01 51.05 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.734 1.623 . . . . 0.0 110.637 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.07 -19.33 26.23 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.125 1.883 . . . . 0.0 111.614 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.71 -50.76 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.866 -1.146 . . . . 0.0 109.948 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.49 -45.47 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.907 -1.121 . . . . 0.0 109.116 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.16 92.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.552 -0.718 . . . . 0.0 109.709 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.26 -40.04 94.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.045 -1.034 . . . . 0.0 109.833 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.1 tm-20 -61.08 -42.04 97.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.833 -1.167 . . . . 0.0 109.978 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.96 -40.77 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 0.0 108.421 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -40.39 87.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.549 -0.719 . . . . 0.0 109.076 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.99 67.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.55 -0.719 . . . . 0.0 110.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.1 m -71.98 -34.91 69.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 109.803 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -73.93 114.92 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.039 -1.038 . . . . 0.0 109.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.251 -0.906 . . . . 0.0 110.485 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.14 -40.57 90.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 110.125 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -78.52 -29.86 46.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.075 -1.015 . . . . 0.0 109.825 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.457 -0.777 . . . . 0.0 110.013 -178.737 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.397 0.618 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.87 -40.05 91.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 110.163 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 24.4 p-10 -65.64 -47.99 73.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.249 -0.907 . . . . 0.0 110.466 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -55.6 -36.72 65.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.89 -39.76 85.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.394 -1.063 . . . . 0.0 110.289 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -59.8 -47.78 84.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.152 -0.967 . . . . 0.0 109.44 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.17 -40.9 77.84 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.117 -0.989 . . . . 0.0 109.411 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.84 -36.1 75.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.281 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.97 141.57 57.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 109.531 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.03 -176.74 4.29 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.62 0.724 . . . . 0.0 110.197 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.64 157.18 15.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 110.036 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.4 t60 -76.38 73.1 3.15 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -98.62 -161.1 0.85 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.43 -0.794 . . . . 0.0 109.789 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.26 -26.4 64.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.257 -0.902 . . . . 0.0 109.075 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.46 -38.42 80.73 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.34 -0.85 . . . . 0.0 108.979 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.7 p -61.6 -41.98 98.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.915 -1.116 . . . . 0.0 108.775 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -97.5 90.53 5.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.368 -0.832 . . . . 0.0 109.357 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -71.94 -24.92 61.7 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.994 -1.066 . . . . 0.0 109.905 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -60.62 -41.34 94.64 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.192 -0.942 . . . . 0.0 109.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.72 76.46 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.184 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.9 -40.72 98.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.276 -0.89 . . . . 0.0 109.999 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.18 93.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.7 t -69.82 -40.07 76.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.335 -0.853 . . . . 0.0 109.647 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.91 -40.43 93.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.405 -0.809 . . . . 0.0 110.794 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.24 3.6 43.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.131 -0.98 . . . . 0.0 109.531 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m120 53.51 44.56 29.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 109.646 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 mt -114.03 151.45 44.88 Favored Pre-proline 0 N--CA 1.5 2.046 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.91 160.32 50.1 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.66 1.574 . . . . 0.0 110.617 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.45 -18.85 26.71 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.095 1.863 . . . . 0.0 111.655 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.19 -50.35 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.004 -1.06 . . . . 0.0 109.981 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.68 -45.17 81.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.101 -0.999 . . . . 0.0 108.989 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.34 92.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.514 -0.741 . . . . 0.0 109.923 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.86 -40.22 96.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 109.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.7 tm-20 -60.78 -41.79 96.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.961 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.63 -39.98 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 108.622 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.58 -40.94 90.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.21 68.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.461 -0.775 . . . . 0.0 110.074 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 66.4 m -71.85 -35.17 69.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 0.0 109.804 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -73.31 114.65 11.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 109.029 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.55 -40.53 91.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.419 -0.801 . . . . 0.0 110.304 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.08 -40.13 88.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.069 -1.019 . . . . 0.0 110.32 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -78.59 -30.23 46.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.778 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.341 -0.85 . . . . 0.0 109.853 -178.93 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.565 0.698 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.89 -40.0 91.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.381 -0.824 . . . . 0.0 110.513 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.27 -39.96 93.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.976 -1.078 . . . . 0.0 110.552 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.73 93.6 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.0 mt -67.93 -40.19 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.588 -0.948 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -61.0 -44.6 97.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.031 -1.043 . . . . 0.0 109.371 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.56 -39.96 77.1 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.119 -0.988 . . . . 0.0 108.507 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.88 67.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.536 -0.727 . . . . 0.0 109.893 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.5 tt0 -61.35 140.12 58.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.0 110.01 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.66 166.93 13.69 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLU . 46.1 mt-10 -51.09 148.99 3.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.088 -1.007 . . . . 0.0 110.224 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.9 t60 -63.59 72.58 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.468 -0.77 . . . . 0.0 109.919 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLU . 99.1 mt-10 -88.85 -167.61 1.93 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.266 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.06 -24.79 63.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.379 -0.826 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.02 -32.22 70.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.293 -0.879 . . . . 0.0 110.148 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -60.04 -39.93 87.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.591 -1.318 . . . . 0.0 109.035 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -61.62 -40.57 95.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.0 108.885 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.59 82.87 4.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.363 -0.836 . . . . 0.0 108.91 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.99 -26.85 64.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 0.0 109.718 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.78 -41.1 94.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 0.0 110.29 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.92 99.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.189 -0.944 . . . . 0.0 109.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 50.1 ttp -65.45 -40.67 93.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.632 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.26 96.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.052 -1.03 . . . . 0.0 109.392 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.4 m -67.85 -40.34 83.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.385 -0.822 . . . . 0.0 110.562 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -61.2 -40.21 93.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 110.011 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -98.27 0.49 45.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.407 -0.808 . . . . 0.0 109.648 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 53.75 47.84 22.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.799 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.41 151.53 48.2 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.82 160.07 51.17 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.551 1.5 . . . . 0.0 110.716 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.15 -17.59 15.45 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.375 2.05 . . . . 0.0 111.907 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -49.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 120.581 -1.324 . . . . 0.0 110.007 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.01 -44.71 81.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.991 -1.068 . . . . 0.0 109.175 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.83 97.64 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.22 -39.87 94.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 0.0 109.636 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 7.1 tm-20 -61.78 -40.73 96.21 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.002 -1.061 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.83 -40.05 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.026 -1.046 . . . . 0.0 108.346 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.09 -39.96 85.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.46 -30.88 69.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.439 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.5 m -72.27 -39.89 68.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.579 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.3 t -75.62 109.78 9.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.978 . . . . 0.0 108.77 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.19 -39.96 88.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.383 -0.823 . . . . 0.0 110.846 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -40.02 89.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 61.1 m -75.94 -32.26 59.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.0 . . . . 0.0 109.857 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 . . . . . 0 N--CA 1.492 1.674 0 O-C-N 121.365 -0.835 . . . . 0.0 110.998 -177.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.541 0.686 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.97 -40.08 92.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.493 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -65.07 -39.97 94.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 110.541 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.86 93.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.2 mt -67.99 -40.07 82.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.714 -0.874 . . . . 0.0 110.258 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.04 -44.79 96.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.01 -1.056 . . . . 0.0 109.339 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.37 -39.99 77.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.192 -0.943 . . . . 0.0 108.492 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.99 -29.91 67.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.533 -0.729 . . . . 0.0 109.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -61.44 140.06 58.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.997 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.64 166.96 13.72 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 13' ' ' GLU . 46.4 mt-10 -51.15 148.64 4.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.116 -0.99 . . . . 0.0 110.226 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.0 t60 -63.27 72.29 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 109.905 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' B' ' 11' ' ' GLU . 99.3 mt-10 -88.42 -167.68 1.96 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.388 -0.82 . . . . 0.0 109.317 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.03 -24.83 63.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.355 -0.841 . . . . 0.0 109.385 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -59.96 -32.34 70.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 110.208 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -59.99 -40.08 87.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.627 -1.295 . . . . 0.0 108.964 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -61.64 -40.31 94.44 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.996 -1.065 . . . . 0.0 108.899 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.55 82.82 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.317 -0.865 . . . . 0.0 108.785 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.96 -26.73 64.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.02 -40.95 95.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.983 . . . . 0.0 110.237 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.14 99.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.945 . . . . 0.0 109.738 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.3 ttp -65.32 -40.62 93.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.325 -0.859 . . . . 0.0 109.545 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.36 96.37 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.947 . . . . 0.0 109.418 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.1 m -67.73 -40.44 84.2 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.624 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -40.33 93.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.149 -0.97 . . . . 0.0 109.981 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -98.3 0.64 45.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.366 -0.834 . . . . 0.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 53.75 47.46 23.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.12 151.36 47.57 Favored Pre-proline 0 N--CA 1.498 1.961 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.85 160.01 51.46 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.609 1.539 . . . . 0.0 110.781 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.09 -17.49 14.86 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.423 2.082 . . . . 0.0 112.042 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -49.9 82.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 120.705 -1.247 . . . . 0.0 110.011 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.36 -44.47 80.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.86 -1.15 . . . . 0.0 109.11 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.56 97.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.345 -0.847 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -64.31 -39.96 94.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.981 -1.074 . . . . 0.0 109.686 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 7.4 tm-20 -61.74 -40.5 95.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 109.904 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.08 -40.02 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.25 -39.88 85.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.534 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.65 -30.88 69.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.579 -0.7 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 70.9 m -72.24 -39.98 68.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.02 -1.05 . . . . 0.0 109.529 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.48 109.82 9.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 108.822 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.913 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.54 -39.97 89.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.0 109.927 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -75.91 -32.36 59.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.905 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 110.977 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 52.2 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.497 0.665 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.52 -42.07 98.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 111.238 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.14 -49.49 77.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.807 -1.183 . . . . 0.0 110.968 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.16 88.16 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.6 mt -68.62 -40.99 82.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.47 -1.018 . . . . 0.0 110.224 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.62 -50.13 73.82 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 109.675 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -68.56 -40.12 80.76 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.204 -0.935 . . . . 0.0 108.829 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.98 76.13 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 0.0 109.924 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 30.5 tt0 -61.29 129.95 43.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.297 -0.877 . . . . 0.0 109.209 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.28 -166.89 2.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.528 -0.733 . . . . 0.0 109.334 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' GLU . 58.1 mp0 -70.58 158.79 35.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 108.817 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 t60 -65.01 70.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.657 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 11' ' ' GLU . 53.7 mt-10 -85.94 -165.67 1.31 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.374 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.08 -25.94 63.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 0.0 109.773 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.82 -35.95 75.79 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 109.324 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -60.5 -40.4 91.24 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.31 -47.52 83.93 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.748 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.92 87.11 5.67 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.307 -0.87 . . . . 0.0 109.02 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -70.9 -29.72 65.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.093 -1.004 . . . . 0.0 110.025 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.57 -40.04 90.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.975 . . . . 0.0 109.561 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.17 87.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.95 . . . . 0.0 109.819 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -63.18 -40.26 97.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.167 -0.958 . . . . 0.0 109.998 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.43 -42.22 98.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.971 -1.08 . . . . 0.0 109.368 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -67.65 -40.01 84.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 109.761 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.73 -40.33 91.99 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.484 -0.76 . . . . 0.0 109.8 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.03 0.72 38.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.381 -0.824 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.5 m120 53.51 45.97 27.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -115.45 153.45 47.65 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.58 159.43 53.56 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.34 1.36 . . . . 0.0 110.643 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.88 -20.64 18.34 Favored 'Trans proline' 0 C--N 1.299 -2.029 0 C-N-CA 122.052 1.835 . . . . 0.0 111.821 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.73 -57.61 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.969 -1.082 . . . . 0.0 109.504 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.65 -48.48 87.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.424 -0.797 . . . . 0.0 109.284 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.28 -49.48 77.42 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.387 -0.821 . . . . 0.0 109.899 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.3 -40.41 96.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.932 -1.105 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.7 tm-20 -60.49 -40.96 93.24 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.991 -1.068 . . . . 0.0 110.185 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.68 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.774 -1.204 . . . . 0.0 108.727 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 33' ' ' ALA . 49.7 t -67.79 -39.39 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -30.2 69.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.391 -0.818 . . . . 0.0 109.936 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.402 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 57.8 m -71.57 -32.9 68.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 109.285 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.36 114.6 12.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -40.28 92.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.901 . . . . 0.0 111.142 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.281 -0.887 . . . . 0.0 109.888 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.444 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 95.9 m -72.27 -31.34 65.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.468 -178.189 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.3 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.41 0.624 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.46 -42.83 96.99 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.685 -0.634 . . . . 0.0 111.268 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.76 -49.77 76.15 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.051 . . . . 0.0 111.096 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.09 92.69 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.0 -42.02 88.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.639 -0.918 . . . . 0.0 110.339 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.74 -50.0 75.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.102 -0.999 . . . . 0.0 109.627 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.71 -39.94 80.23 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.139 -0.976 . . . . 0.0 108.844 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.71 75.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.538 -0.726 . . . . 0.0 110.029 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.19 129.93 43.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.132 -0.98 . . . . 0.0 109.344 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -151.38 -167.08 2.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 109.507 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 13' ' ' GLU . 56.4 mp0 -70.17 157.46 37.58 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.497 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.8 t60 -64.29 70.01 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.216 -0.927 . . . . 0.0 109.852 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.2 mt-10 -85.49 -166.33 1.48 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 109.434 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.22 -25.63 63.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -59.52 -36.14 75.52 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.203 -0.936 . . . . 0.0 109.208 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -60.68 -40.24 91.42 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.923 -1.111 . . . . 0.0 108.944 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -63.29 -45.25 92.31 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.789 -1.194 . . . . 0.0 108.78 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -94.16 86.18 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -70.92 -29.13 65.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.0 109.785 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.47 -40.01 92.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.216 -0.928 . . . . 0.0 109.624 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.5 93.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.097 -1.002 . . . . 0.0 109.73 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.7 ttp -64.2 -40.19 95.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.878 . . . . 0.0 109.91 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.08 97.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.031 -1.043 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -68.07 -40.2 82.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.434 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.48 -40.82 92.67 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.462 -0.774 . . . . 0.0 110.021 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -101.09 1.22 39.13 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.505 -0.747 . . . . 0.0 110.034 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 52.82 47.54 24.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.139 -0.975 . . . . 0.0 109.818 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 mt -116.52 152.81 48.64 Favored Pre-proline 0 N--CA 1.498 1.967 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.06 158.91 56.03 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.364 1.376 . . . . 0.0 110.636 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.43 -20.69 16.2 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.151 1.901 . . . . 0.0 111.831 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.38 -58.13 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.785 -1.197 . . . . 0.0 109.588 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.45 -48.78 86.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.379 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.21 -48.74 80.44 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.241 -0.912 . . . . 0.0 109.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -63.17 -39.76 95.57 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.905 -1.122 . . . . 0.0 109.729 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.61 -41.26 94.44 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.968 -1.082 . . . . 0.0 110.188 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.67 -40.33 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.914 -1.116 . . . . 0.0 108.57 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 33' ' ' ALA . 59.7 t -68.05 -39.8 82.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.67 71.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.7 m -71.25 -33.49 69.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.125 -0.984 . . . . 0.0 109.408 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.1 113.97 11.9 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.212 -0.93 . . . . 0.0 108.597 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.6 -40.35 91.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.33 -0.856 . . . . 0.0 110.783 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.33 -39.36 86.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 109.714 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.436 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 94.4 m -72.55 -32.76 66.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.113 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.499 -178.018 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 61.4 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.484 0.659 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.17 -40.32 93.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.529 -0.732 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.13 -47.81 84.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.215 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -36.19 92.51 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.75 -40.55 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.593 -0.945 . . . . 0.0 110.036 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.98 -47.61 85.11 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.95 -1.094 . . . . 0.0 109.521 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -69.97 -40.28 75.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.157 -0.964 . . . . 0.0 109.801 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.22 70.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 0.0 110.036 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.88 136.13 57.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.909 . . . . 0.0 109.605 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.34 169.66 6.21 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.19 170.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.007 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.1 t60 -74.53 67.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 122.006 0.908 . . . . 0.0 109.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -71.76 173.17 8.56 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.53 -23.97 65.5 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.076 -1.015 . . . . 0.0 108.704 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -59.09 -27.18 65.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.032 -1.043 . . . . 0.0 109.707 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.88 -39.9 86.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 108.882 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.2 p -61.87 -40.24 94.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.864 -1.147 . . . . 0.0 109.177 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.07 83.17 4.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.255 -0.903 . . . . 0.0 109.599 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -71.56 -27.08 62.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.291 -0.881 . . . . 0.0 111.008 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -60.25 -40.43 90.26 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.928 -1.107 . . . . 0.0 110.216 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.81 89.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.11 -0.994 . . . . 0.0 109.171 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.56 -46.22 91.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.424 -0.798 . . . . 0.0 109.625 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.02 -41.26 97.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.179 -0.951 . . . . 0.0 109.561 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -68.11 -40.31 82.57 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.5 -0.75 . . . . 0.0 110.157 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -40.02 95.49 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.157 -0.965 . . . . 0.0 110.329 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.0 1.7 36.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.208 -0.933 . . . . 0.0 110.237 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 54.01 49.32 19.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.033 -1.042 . . . . 0.0 109.064 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 80.8 mt -119.3 151.18 50.77 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.4 Cg_endo -68.72 149.69 73.54 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.652 1.568 . . . . 0.0 111.624 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -41.83 -21.77 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.195 1.93 . . . . 0.0 112.696 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -60.02 -50.09 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 111.028 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.31 -45.0 86.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.471 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.3 94.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.208 -0.932 . . . . 0.0 110.355 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.31 -40.07 93.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.954 -1.091 . . . . 0.0 110.091 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.58 -40.9 93.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.038 . . . . 0.0 109.795 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.33 -40.16 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.1 -1.0 . . . . 0.0 108.609 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.18 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.665 -0.647 . . . . 0.0 110.323 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -74.69 -32.34 62.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.064 . . . . 0.0 110.15 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -75.74 113.2 12.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.952 -1.093 . . . . 0.0 108.923 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -61.01 -39.5 89.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.295 -0.878 . . . . 0.0 110.339 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.45 -39.52 87.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.038 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 73.2 m -74.36 -32.42 62.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.893 -1.129 . . . . 0.0 109.746 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.929 . . . . 0.0 110.436 -178.056 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 58.9 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.424 0.631 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.34 -40.46 90.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.453 -0.78 . . . . 0.0 110.139 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.01 -49.01 79.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.997 . . . . 0.0 110.163 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.19 -36.13 89.81 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.46 -40.35 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.34 -1.094 . . . . 0.0 110.414 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.05 -47.49 85.63 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.828 -1.17 . . . . 0.0 109.197 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.76 -40.39 76.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.126 -0.984 . . . . 0.0 109.931 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.39 68.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.316 -0.865 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.92 137.09 58.17 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.322 -0.861 . . . . 0.0 109.635 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -172.74 170.03 4.78 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -48.98 171.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.965 -1.085 . . . . 0.0 110.079 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.0 t60 -74.47 67.7 1.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.891 0.853 . . . . 0.0 109.192 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -71.91 173.1 8.78 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.63 -23.56 65.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.043 -1.036 . . . . 0.0 108.644 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -58.71 -27.98 65.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.119 -0.988 . . . . 0.0 109.809 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.64 -40.26 87.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.8 -1.188 . . . . 0.0 108.822 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.3 p -61.47 -40.25 93.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.887 -1.133 . . . . 0.0 109.017 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.74 83.09 3.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.077 -1.015 . . . . 0.0 109.766 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -70.94 -27.54 63.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 111.084 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.67 -40.05 90.65 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.76 -1.212 . . . . 0.0 110.306 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.06 89.42 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 108.78 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.2 ttm -60.74 -45.82 92.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.971 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.67 -41.08 98.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -0.949 . . . . 0.0 109.481 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -68.59 -39.97 80.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.567 -0.708 . . . . 0.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.31 -40.26 95.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.24 -0.913 . . . . 0.0 110.367 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.78 1.58 37.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 54.61 47.03 23.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.93 -1.106 . . . . 0.0 109.304 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 85.2 mt -117.47 150.8 47.26 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.3 Cg_endo -69.21 149.23 70.18 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.678 1.585 . . . . 0.0 111.803 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -40.92 -21.69 0.11 Allowed 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 122.112 1.875 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.6 -50.51 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.939 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.67 -44.86 85.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.524 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.59 95.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.043 -1.036 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -66.14 -39.97 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.915 -1.115 . . . . 0.0 109.982 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.4 tm-20 -60.89 -40.26 92.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 109.554 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.64 -39.98 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.817 -1.177 . . . . 0.0 108.531 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.34 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.13 66.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.699 -0.625 . . . . 0.0 110.352 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 56.0 m -73.87 -32.68 63.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.058 -1.026 . . . . 0.0 110.17 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.27 113.17 12.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 0.0 108.891 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.89 -39.88 90.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.85 . . . . 0.0 110.383 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.77 -39.92 86.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.933 . . . . 0.0 110.224 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 71.7 m -74.27 -32.93 63.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 0.0 110.428 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 56.4 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.344 0.592 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.51 -40.3 90.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.737 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 -53.3 52.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.0 110.69 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.74 -34.65 83.19 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 57.3 mt -68.08 -39.93 82.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.997 . . . . 0.0 110.017 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.06 -46.8 88.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 0.0 109.533 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.77 -40.11 79.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.026 -1.046 . . . . 0.0 108.881 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.37 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.626 -0.671 . . . . 0.0 109.751 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -60.86 136.97 58.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.35 -0.843 . . . . 0.0 109.255 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.92 -169.57 0.9 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.341 -0.849 . . . . 0.0 108.909 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 44.5 tt0 -63.62 149.95 45.29 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 109.884 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 67.8 t60 -64.93 77.11 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 109.596 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.4 mm-40 -88.61 -166.46 1.6 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.492 -0.755 . . . . 0.0 109.693 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.67 64.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.497 -0.752 . . . . 0.0 109.265 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -58.81 -34.16 71.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 109.458 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.885 -1.134 . . . . 0.0 109.206 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.63 -41.83 98.22 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.017 -1.052 . . . . 0.0 108.707 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.26 86.48 4.94 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -70.06 -28.68 65.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 0.0 110.16 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.36 -40.12 93.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.891 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.09 78.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.42 -41.6 98.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 109.616 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -66.54 -40.11 88.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.149 -0.97 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.78 -39.81 76.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.437 -0.79 . . . . 0.0 109.468 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.96 -41.29 91.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.361 -0.837 . . . . 0.0 109.45 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -99.78 -4.09 31.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.333 -0.855 . . . . 0.0 108.759 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 53.38 50.11 18.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.594 -0.691 . . . . 0.0 110.598 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.5 mt -116.08 147.05 38.47 Favored Pre-proline 0 N--CA 1.502 2.173 0 O-C-N 121.36 -0.837 . . . . 0.0 108.844 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.97 156.19 0.5 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.247 1.298 . . . . 0.0 110.931 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.42 -18.77 47.94 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.893 1.729 . . . . 0.0 110.779 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 HD11 ' B' ' 5' ' ' ILE . 95.1 t -59.98 -50.22 80.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 110.469 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.97 -49.94 79.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.771 -1.205 . . . . 0.0 108.739 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.87 82.49 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.448 -0.782 . . . . 0.0 109.683 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.64 -40.05 90.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.337 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -59.95 -44.48 94.37 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 109.744 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.71 -46.62 96.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.215 -0.928 . . . . 0.0 108.862 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.3 t -65.62 -40.01 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.185 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -69.84 -34.46 73.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.443 -0.786 . . . . 0.0 110.235 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.9 m -78.34 -26.16 46.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.061 -1.024 . . . . 0.0 109.852 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.46 116.9 12.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.98 -40.04 87.78 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.456 -0.778 . . . . 0.0 110.749 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.03 -39.14 84.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.094 -1.004 . . . . 0.0 109.208 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.35 -28.38 56.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 110.553 -178.09 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.2 m-85 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.4 0.619 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.63 -40.17 90.96 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.387 -0.821 . . . . 0.0 110.795 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -64.09 -52.97 56.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 110.624 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -34.76 84.39 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.892 -1.683 . . . . 0.0 108.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 9' ' ' GLN . 58.1 mt -68.05 -39.96 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.652 -0.911 . . . . 0.0 109.973 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.01 -46.72 88.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 109.581 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.0 -40.17 78.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.015 -1.053 . . . . 0.0 108.784 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.38 77.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.605 -0.685 . . . . 0.0 109.734 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.0 tt0 -60.73 137.01 58.23 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 109.327 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.91 -169.69 0.91 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 108.838 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 13' ' ' GLU . 44.5 tt0 -63.65 150.0 45.25 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.529 -0.732 . . . . 0.0 109.856 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 67.1 t60 -65.05 77.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.728 . . . . 0.0 109.601 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.9 mm-40 -88.57 -166.29 1.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.61 64.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.469 -0.77 . . . . 0.0 109.256 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -58.9 -34.16 71.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.8 p -63.52 -41.75 98.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.062 -1.024 . . . . 0.0 108.82 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.38 86.4 4.87 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -69.97 -28.74 65.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.41 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.89 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.04 79.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.221 -0.925 . . . . 0.0 109.726 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.53 -40.0 88.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.121 -0.987 . . . . 0.0 109.321 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.99 -39.88 75.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.38 -0.825 . . . . 0.0 109.486 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -99.74 -4.08 31.44 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.5 m-20 53.38 49.85 18.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -115.79 146.98 38.06 Favored Pre-proline 0 N--CA 1.502 2.174 0 O-C-N 121.385 -0.822 . . . . 0.0 108.934 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -45.87 156.0 0.5 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.375 1.383 . . . . 0.0 110.909 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.35 -18.88 47.97 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 121.915 1.744 . . . . 0.0 110.847 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 94.1 t -59.97 -50.33 80.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.482 -0.761 . . . . 0.0 110.486 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.7 -50.03 79.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.724 -1.235 . . . . 0.0 108.687 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.96 82.29 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.73 -39.91 90.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 0.0 109.224 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.01 -44.47 94.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.6 -46.58 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.117 -0.989 . . . . 0.0 108.969 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.194 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -69.92 -34.3 73.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.276 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -78.4 -26.25 46.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.077 -1.014 . . . . 0.0 109.871 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.48 116.97 12.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 108.422 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.03 -40.08 88.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.445 -0.784 . . . . 0.0 110.931 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -59.99 -39.05 84.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -76.34 -28.7 56.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 0.0 109.483 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.676 -178.125 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.216 0.531 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 90.4 mt -64.79 -40.8 95.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.975 . . . . 0.0 110.63 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.54 -40.35 92.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.928 -1.108 . . . . 0.0 109.986 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.48 -36.83 93.06 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.49 -40.13 83.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.417 -1.049 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.85 84.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.981 -1.075 . . . . 0.0 110.343 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.3 -40.18 77.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.086 . . . . 0.0 109.443 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.45 74.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.492 -0.755 . . . . 0.0 109.441 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.7 138.36 58.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.372 -0.83 . . . . 0.0 109.432 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 40.9 tt0 -169.98 164.33 9.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 108.836 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' GLU . 85.2 mt-10 -40.22 160.19 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.45 -0.781 . . . . 0.0 110.75 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.6 t60 -74.4 72.47 1.84 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.85 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -84.88 -172.59 4.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.565 -0.709 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -67.77 -28.28 67.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -57.69 -32.06 66.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.0 109.121 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -60.06 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 109.386 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -60.39 -40.71 91.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.921 -1.112 . . . . 0.0 109.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -99.75 92.38 5.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.346 -0.846 . . . . 0.0 109.634 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -73.46 -27.78 61.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.002 . . . . 0.0 109.988 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.04 -41.03 91.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.057 -1.027 . . . . 0.0 110.004 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.87 94.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.998 . . . . 0.0 109.132 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.59 -40.52 95.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.846 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.57 96.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.846 -1.158 . . . . 0.0 109.546 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -68.29 -40.09 81.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.11 -40.47 89.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 110.372 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -101.27 0.05 36.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.186 -0.946 . . . . 0.0 109.857 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 54.51 39.97 31.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.344 -0.848 . . . . 0.0 110.359 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.6 mt -106.89 150.74 40.13 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.6 Cg_endo -69.24 149.3 70.06 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 121.35 1.367 . . . . 0.0 111.308 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.27 -23.28 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.176 1.918 . . . . 0.0 112.423 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 92.4 t -57.11 -57.16 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.68 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.79 -44.37 98.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.081 -1.012 . . . . 0.0 109.047 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.61 -48.62 80.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.299 -0.876 . . . . 0.0 109.761 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.87 -39.97 93.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 110.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.27 -40.09 92.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.939 -1.1 . . . . 0.0 109.526 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.93 -40.0 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.8 -40.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.93 68.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -72.02 -38.13 69.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.75 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.66 113.27 11.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 108.925 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.71 -40.03 90.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.267 -0.895 . . . . 0.0 110.695 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -60.97 -39.99 91.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.287 -0.883 . . . . 0.0 110.685 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.53 -33.42 60.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.95 -1.094 . . . . 0.0 110.091 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.49 -178.464 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.221 0.534 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . 0.448 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 90.4 mt -64.62 -40.8 96.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.921 . . . . 0.0 110.712 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.49 -40.22 92.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.899 -1.126 . . . . 0.0 110.031 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -36.92 92.99 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.26 -40.22 84.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.402 -1.058 . . . . 0.0 110.183 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.8 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.082 . . . . 0.0 110.307 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.43 -40.18 77.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.961 -1.087 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.5 74.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.479 -0.763 . . . . 0.0 109.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.58 138.43 58.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 109.437 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -170.0 164.47 9.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.419 -0.801 . . . . 0.0 108.908 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -40.33 160.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -74.28 72.2 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.468 -0.77 . . . . 0.0 109.85 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -84.59 -172.58 4.25 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.486 -0.759 . . . . 0.0 109.704 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -67.79 -28.3 67.48 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -57.69 -32.05 66.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.126 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.98 -40.19 88.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.998 -1.064 . . . . 0.0 109.336 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -60.25 -40.75 91.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.937 -1.102 . . . . 0.0 109.165 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -99.9 92.45 5.29 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.391 -0.818 . . . . 0.0 109.514 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -73.5 -27.62 61.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.059 -1.025 . . . . 0.0 110.02 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.07 . . . . 0.0 110.061 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.96 94.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.019 -1.051 . . . . 0.0 109.171 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.53 -40.58 95.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.731 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.879 -1.138 . . . . 0.0 109.587 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -68.41 -40.06 81.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.417 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.18 -40.35 89.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.437 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -101.43 0.27 36.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.269 -0.895 . . . . 0.0 109.77 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.43 40.02 31.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.438 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -107.0 150.79 40.25 Favored Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.0 Cg_endo -69.31 149.31 69.58 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 121.339 1.36 . . . . 0.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.2 -23.41 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.164 1.91 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 94.8 t -57.06 -57.16 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.962 . . . . 0.0 110.741 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.78 -44.44 98.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.087 -1.008 . . . . 0.0 109.077 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.52 80.53 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 0.0 109.785 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.9 -40.02 93.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 110.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.17 -40.13 92.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.042 -1.036 . . . . 0.0 109.586 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.99 -39.93 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.77 -40.0 87.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.09 68.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.593 -0.692 . . . . 0.0 109.684 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -71.81 -38.17 70.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.833 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -74.66 113.19 11.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.67 -40.09 90.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.215 -0.928 . . . . 0.0 110.599 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.95 -40.0 91.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 110.675 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -75.56 -33.5 60.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 110.007 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.495 1.779 0 O-C-N 121.195 -0.94 . . . . 0.0 110.48 -178.494 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.493 0.664 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.54 -39.98 93.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.542 -0.724 . . . . 0.0 110.437 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.42 -40.76 93.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.023 -1.048 . . . . 0.0 110.224 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.96 96.07 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.31 -40.11 85.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.691 -0.888 . . . . 0.0 110.331 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.02 -42.19 93.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.33 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.68 -40.0 76.64 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.89 -1.132 . . . . 0.0 108.661 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.66 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.369 0.604 . . . . 0.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.98 136.11 57.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 0.0 109.971 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -158.66 -151.27 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -80.93 157.94 25.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.111 -0.993 . . . . 0.0 109.704 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -78.29 72.88 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 108.884 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.34 -149.41 0.37 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.478 -0.764 . . . . 0.0 109.848 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.98 -32.77 71.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.456 -0.778 . . . . 0.0 109.838 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -60.07 -39.53 86.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.789 -1.195 . . . . 0.0 109.212 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -60.53 -42.79 97.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.856 -1.153 . . . . 0.0 109.192 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -96.11 88.59 4.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.153 -0.967 . . . . 0.0 109.4 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -69.95 -28.84 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.962 -1.086 . . . . 0.0 109.416 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.5 -40.36 91.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.98 . . . . 0.0 109.547 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.54 -43.84 96.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.386 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.67 98.9 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.34 -0.85 . . . . 0.0 109.198 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -40.1 80.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 109.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.88 -40.28 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.357 -0.839 . . . . 0.0 110.491 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.45 -0.63 34.92 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 56.36 41.44 29.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.534 -0.729 . . . . 0.0 110.049 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -113.27 151.04 43.98 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.1 Cg_endo -69.67 150.11 68.3 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.605 1.536 . . . . 0.0 111.841 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.25 -21.15 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.404 2.069 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -60.03 -50.01 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 111.157 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.51 -40.44 79.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.783 -1.198 . . . . 0.0 109.781 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.921 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -61.23 -38.79 87.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.098 -1.001 . . . . 0.0 110.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 109.681 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.88 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.864 -1.148 . . . . 0.0 108.516 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.33 -40.06 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.71 77.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 109.464 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -72.0 -39.58 69.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.214 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.3 t -75.71 106.72 7.43 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -59.92 -39.73 86.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.482 -0.761 . . . . 0.0 110.463 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -59.94 -40.05 87.66 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.26 -0.9 . . . . 0.0 109.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.5 m -75.03 -36.94 61.87 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.768 -1.207 . . . . 0.0 109.812 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.404 HE21 ' CG ' ' B' ' 44' ' ' GLN . 59.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 0.0 110.576 -178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.586 0.708 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.73 -40.05 93.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.43 -0.794 . . . . 0.0 110.415 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.4 -40.97 94.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.254 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.35 -39.24 95.88 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -39.98 85.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.662 -0.905 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -59.99 -42.25 93.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.036 -1.04 . . . . 0.0 110.324 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 -40.0 76.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.843 -1.16 . . . . 0.0 108.647 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.79 75.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 110.289 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.86 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.328 -0.857 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -158.97 -151.06 0.26 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -80.88 158.24 25.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.022 -1.049 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -78.59 72.6 5.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 108.883 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -100.29 -149.4 0.37 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.462 -0.774 . . . . 0.0 109.866 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -70.05 -32.74 70.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.428 -0.795 . . . . 0.0 109.823 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -60.03 -39.76 87.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -60.0 -40.04 87.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.823 -1.173 . . . . 0.0 109.209 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.28 -42.68 95.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.841 -1.162 . . . . 0.0 109.199 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -96.31 88.77 4.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.128 -0.983 . . . . 0.0 109.282 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -70.06 -28.58 65.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.956 -1.09 . . . . 0.0 109.393 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -60.77 -40.19 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.98 94.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -60.55 -43.9 96.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.442 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.75 98.85 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 109.247 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.67 -39.94 80.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.01 -40.6 94.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.538 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.01 -0.78 35.85 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.341 -0.85 . . . . 0.0 110.184 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 56.48 41.45 28.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.955 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.24 150.9 43.77 Favored Pre-proline 0 N--CA 1.501 2.09 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.0 Cg_endo -69.6 150.23 68.9 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.657 1.571 . . . . 0.0 111.819 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -41.35 -21.06 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.279 1.986 . . . . 0.0 112.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.01 -50.03 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 111.207 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.48 -40.71 80.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 120.824 -1.172 . . . . 0.0 109.675 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.02 89.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -61.25 -38.62 87.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.085 -1.009 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -60.06 -41.51 92.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.892 -1.13 . . . . 0.0 109.576 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.83 -40.07 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.27 -39.96 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.487 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.62 -37.89 77.0 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.669 -0.645 . . . . 0.0 109.513 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -71.78 -39.66 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.194 -0.941 . . . . 0.0 109.252 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -75.69 106.84 7.47 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -60.05 -39.78 87.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.542 -0.724 . . . . 0.0 110.422 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 109.781 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.0 m -74.99 -37.06 61.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.778 -1.201 . . . . 0.0 109.819 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.595 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.597 0.713 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.44 -42.32 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.965 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 1.1 p30 -60.82 -47.77 84.86 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.179 -0.95 . . . . 0.0 110.573 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.99 -39.44 94.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.0 -39.82 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.713 -0.875 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 35.7 t0 -60.27 -48.11 83.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.278 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.12 -40.02 82.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.357 -0.839 . . . . 0.0 109.072 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.27 67.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.536 -0.727 . . . . 0.0 110.073 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.11 140.04 57.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.117 -0.99 . . . . 0.0 109.098 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -168.53 160.22 10.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 108.995 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -46.28 162.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.96 . . . . 0.0 109.898 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -74.95 79.6 2.17 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.729 . . . . 0.0 109.625 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.33 -160.17 0.78 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.566 -0.709 . . . . 0.0 109.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.86 -27.91 65.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 109.495 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.92 -38.43 82.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 109.394 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -60.23 -39.81 88.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.727 -1.233 . . . . 0.0 109.066 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -63.82 -41.09 97.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.822 -1.174 . . . . 0.0 109.171 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -96.06 83.31 3.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.003 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -70.13 -27.96 64.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.183 -0.948 . . . . 0.0 109.877 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.47 -40.58 91.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.996 -1.065 . . . . 0.0 109.813 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.37 97.02 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.147 -0.971 . . . . 0.0 109.819 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.9 ttp -60.91 -41.3 95.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.0 109.74 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.48 95.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.349 -0.844 . . . . 0.0 109.721 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -67.98 -39.81 83.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.868 . . . . 0.0 110.362 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.73 -39.76 89.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.897 . . . . 0.0 109.892 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -100.71 2.35 41.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.636 -0.665 . . . . 0.0 109.615 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 51.75 46.19 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.76 150.37 43.26 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' VAL . 44.1 Cg_endo -69.3 149.74 70.18 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.631 1.554 . . . . 0.0 111.218 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.86 -17.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.065 1.844 . . . . 0.0 112.602 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.6 t -60.29 -50.42 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.896 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.5 -42.52 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 120.824 -1.172 . . . . 0.0 109.079 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.93 95.51 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.616 -0.677 . . . . 0.0 109.647 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.55 -40.57 97.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.33 -40.35 93.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.982 -1.074 . . . . 0.0 109.219 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.43 -41.03 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 108.257 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.36 -40.26 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.476 -0.765 . . . . 0.0 109.076 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.51 68.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.391 -0.818 . . . . 0.0 109.744 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.3 m -72.96 -39.95 65.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 t -75.52 116.06 15.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.999 -1.063 . . . . 0.0 109.174 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -60.59 -40.12 90.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.142 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -60.66 -41.0 94.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 110.286 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 m -77.86 -28.66 50.1 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.148 -0.97 . . . . 0.0 109.976 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 N--CA 1.493 1.683 0 O-C-N 121.215 -0.928 . . . . 0.0 110.574 -178.308 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.521 0.677 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.6 -42.3 96.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.066 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 1.2 p30 -60.61 -48.76 80.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 110.537 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.57 -39.14 92.83 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 74.0 mt -66.18 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.583 -0.951 . . . . 0.0 110.156 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -60.65 -46.56 89.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.21 -0.931 . . . . 0.0 109.346 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.91 -40.28 79.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.01 67.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.744 -0.597 . . . . 0.0 110.155 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.0 tt0 -60.04 138.82 57.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 109.149 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -167.47 160.9 13.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.482 -0.761 . . . . 0.0 109.19 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -46.81 162.09 0.05 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.273 -0.892 . . . . 0.0 109.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.75 78.32 2.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.478 -0.764 . . . . 0.0 109.869 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.45 -160.52 0.8 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.458 -0.776 . . . . 0.0 110.079 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -69.48 -27.9 65.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.19 -38.23 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.359 -0.838 . . . . 0.0 109.333 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -59.95 -39.92 87.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.867 -1.145 . . . . 0.0 109.024 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -64.55 -40.59 95.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.976 -1.077 . . . . 0.0 109.061 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -96.33 83.33 3.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -70.0 -28.66 65.69 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.96 . . . . 0.0 109.83 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.59 -40.2 90.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.174 -0.954 . . . . 0.0 109.764 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.06 97.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.769 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.2 ttp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 109.821 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.86 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.42 -0.8 . . . . 0.0 109.903 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -68.15 -40.19 82.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.409 -0.807 . . . . 0.0 110.254 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -60.85 -40.05 91.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -99.65 1.78 43.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.389 -0.819 . . . . 0.0 109.401 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 52.64 46.92 25.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -114.85 149.92 43.23 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.6 Cg_endo -68.71 149.61 73.53 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.589 1.526 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.15 -17.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.963 1.775 . . . . 0.0 112.476 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.1 t -60.23 -50.24 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.866 -1.146 . . . . 0.0 110.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.83 -42.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.004 -1.06 . . . . 0.0 108.798 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.69 92.84 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.57 -0.706 . . . . 0.0 109.715 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.66 -39.97 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.989 -1.069 . . . . 0.0 109.822 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.7 tm-20 -61.2 -40.52 94.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.884 -1.135 . . . . 0.0 109.128 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.52 -40.8 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.985 -1.072 . . . . 0.0 108.463 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.42 -39.9 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.449 -0.782 . . . . 0.0 109.208 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.42 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.6 -30.47 68.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.445 -0.785 . . . . 0.0 109.713 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.412 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 59.9 m -72.37 -39.97 67.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 0.0 110.195 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.8 t -76.25 115.6 16.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.061 -1.025 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.22 -40.36 89.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -0.787 . . . . 0.0 110.476 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.3 -40.58 91.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.9 m -78.63 -29.06 45.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.041 -1.037 . . . . 0.0 110.061 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 21.7 tt0 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.346 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.566 0.698 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.77 -40.42 92.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.614 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.24 -51.45 60.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.269 -0.895 . . . . 0.0 110.732 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.98 67.49 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.681 -1.767 . . . . 0.0 108.681 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -69.33 -40.3 79.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.536 -0.979 . . . . 0.0 109.423 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.97 -48.63 80.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.95 . . . . 0.0 109.898 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -66.8 -40.75 88.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.025 -1.047 . . . . 0.0 108.964 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.69 73.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.221 -0.924 . . . . 0.0 109.791 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.5 tt0 -62.96 125.23 23.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 110.159 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -151.47 -165.39 2.23 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' GLU . 74.4 mm-40 -74.41 157.8 35.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 78.4 t60 -65.04 69.78 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.987 -1.071 . . . . 0.0 110.018 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 11' ' ' GLU . 22.3 tt0 -79.82 -179.92 7.2 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' H ' ' CG ' ' A' ' 13' ' ' GLU . 62.6 mttm -64.17 -26.21 68.42 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.051 -1.031 . . . . 0.0 109.325 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -59.92 -29.86 68.66 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.879 -1.138 . . . . 0.0 109.192 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.83 -37.48 79.31 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.1 p -59.75 -46.61 88.62 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.984 -1.073 . . . . 0.0 108.502 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -94.05 87.55 5.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 108.776 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -69.77 -26.2 64.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.109 -0.994 . . . . 0.0 109.519 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.47 -40.26 90.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 109.868 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.99 92.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.5 ttm -60.49 -45.09 95.06 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.174 -0.954 . . . . 0.0 109.151 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.23 -42.44 99.23 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.398 -0.814 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.3 t -68.47 -40.32 81.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.131 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.56 -40.05 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.424 -0.798 . . . . 0.0 110.133 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -101.84 3.05 38.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.454 -0.778 . . . . 0.0 109.706 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m120 55.37 42.68 29.9 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.299 -0.876 . . . . 0.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 73.8 mt -112.77 150.36 42.64 Favored Pre-proline 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -68.93 147.74 68.85 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.771 1.648 . . . . 0.0 111.801 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 -20.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 122.362 2.041 . . . . 0.0 112.315 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -59.76 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.451 -0.78 . . . . 0.0 110.695 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.86 -42.55 85.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.0 92.91 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.785 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.27 -39.95 92.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.58 -44.0 96.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.088 -1.007 . . . . 0.0 109.571 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.34 -40.17 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.63 -39.91 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.89 94.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.639 -0.663 . . . . 0.0 110.293 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -71.65 -38.89 70.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.03 -1.044 . . . . 0.0 109.571 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -75.67 102.87 5.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.985 -1.072 . . . . 0.0 108.642 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -60.81 -39.29 88.41 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.84 -0.538 . . . . 0.0 110.595 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.213 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.72 -61.51 1.81 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 110.826 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 11.3 tt0 . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 111.47 -177.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.559 0.695 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -40.07 94.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.09 -51.12 63.26 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.51 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.66 73.51 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 108.521 -1.831 . . . . 0.0 108.521 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.2 mt -69.03 -40.09 80.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 O-C-N 121.696 -0.885 . . . . 0.0 109.735 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -49.28 78.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.122 -0.986 . . . . 0.0 109.452 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -65.89 -41.6 91.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.882 . . . . 0.0 109.015 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -35.7 73.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.749 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 7.5 tt0 -63.54 126.07 26.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.052 -1.03 . . . . 0.0 109.591 -178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -152.04 -166.5 2.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.466 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 13' ' ' GLU . 73.2 mm-40 -73.1 156.77 38.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.853 . . . . 0.0 109.008 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.4 t60 -64.94 70.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.708 -1.245 . . . . 0.0 109.96 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' B' ' 11' ' ' GLU . 19.7 tt0 -80.05 -179.47 7.04 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' B' ' 13' ' ' GLU . 60.7 mttm -64.55 -26.15 68.29 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.954 . . . . 0.0 109.307 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.16 -29.2 68.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.038 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.807 -1.183 . . . . 0.0 108.439 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -59.46 -47.3 86.03 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.946 -1.096 . . . . 0.0 108.725 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -93.84 88.06 5.63 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.048 -1.033 . . . . 0.0 108.823 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -70.0 -25.76 63.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 109.427 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.84 -39.81 90.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.91 91.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.986 -1.071 . . . . 0.0 109.097 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.39 -45.72 92.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 108.953 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.619 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -68.44 -40.42 81.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.495 -0.753 . . . . 0.0 110.353 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.92 -39.93 91.27 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.357 -0.839 . . . . 0.0 110.246 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -101.76 3.65 39.72 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.498 -0.752 . . . . 0.0 109.745 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m120 54.72 43.0 30.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 73.3 mt -113.13 150.36 42.84 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.87 148.17 63.78 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.371 1.381 . . . . 0.0 111.679 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -39.82 -20.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.374 2.049 . . . . 0.0 112.296 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.3 t -59.58 -50.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.165 -0.96 . . . . 0.0 110.807 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.77 -42.8 86.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.939 -1.101 . . . . 0.0 109.285 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.35 94.18 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.118 -0.989 . . . . 0.0 109.649 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.09 -39.81 91.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.98 -1.075 . . . . 0.0 110.135 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.67 -43.59 97.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.005 -1.059 . . . . 0.0 109.936 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.777 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.26 -39.89 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.72 93.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.667 -0.646 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -71.15 -39.57 71.86 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.667 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.7 103.05 5.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.096 -1.002 . . . . 0.0 108.452 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.825 -0.547 . . . . 0.0 110.668 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -58.74 -34.97 71.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.906 -1.121 . . . . 0.0 109.154 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.82 -61.9 1.68 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.17 -0.956 . . . . 0.0 110.92 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 52.2 tt0 . . . . . 0 N--CA 1.497 1.909 0 O-C-N 121.089 -1.007 . . . . 0.0 111.678 -177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.08 -39.47 86.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 110.379 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.79 -42.21 99.6 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.506 -0.746 . . . . 0.0 110.713 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.78 96.64 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.95 -40.57 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.888 . . . . 0.0 110.593 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.24 -47.65 85.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 0.0 109.712 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -68.62 -40.1 80.5 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.239 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.44 82.17 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.588 -0.695 . . . . 0.0 110.653 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -64.65 136.27 56.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.989 -1.069 . . . . 0.0 109.991 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -162.11 -173.81 3.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.58 149.71 38.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -67.55 81.96 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.019 0.914 . . . . 0.0 108.799 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -97.06 -162.63 0.97 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.706 . . . . 0.0 109.217 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -68.11 -30.07 69.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.942 -1.099 . . . . 0.0 108.712 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -59.77 -35.16 74.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.597 -0.689 . . . . 0.0 110.029 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -60.57 -40.39 91.48 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.109 -0.994 . . . . 0.0 109.023 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -97.85 90.18 4.85 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -69.71 -28.64 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.707 -1.246 . . . . 0.0 109.026 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.18 -40.22 93.11 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.505 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.92 99.11 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.57 -1.331 . . . . 0.0 109.664 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.14 -40.23 95.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.847 -1.158 . . . . 0.0 109.623 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.25 98.35 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.184 -0.948 . . . . 0.0 109.404 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.03 -39.75 75.57 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.701 -0.625 . . . . 0.0 110.208 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -61.49 -39.85 92.45 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.12 -0.987 . . . . 0.0 109.66 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -99.6 1.31 43.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.538 -0.726 . . . . 0.0 109.69 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 52.64 48.89 21.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.621 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.1 mt -117.85 150.2 46.69 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.8 Cg_endo -70.14 149.07 63.95 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.544 1.496 . . . . 0.0 111.117 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -41.87 -21.04 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.045 1.83 . . . . 0.0 113.016 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.6 t -59.63 -50.61 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.543 -1.348 . . . . 0.0 110.363 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.06 -40.99 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.039 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.65 98.0 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.974 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -61.91 -39.87 93.49 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.121 -0.987 . . . . 0.0 109.891 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.88 -40.53 89.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.857 -1.152 . . . . 0.0 110.009 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.91 -40.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.46 -39.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.55 79.32 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.45 -0.781 . . . . 0.0 108.945 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 m -72.5 -40.1 67.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.066 -1.021 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 t -74.12 111.56 9.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.385 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.62 -40.13 93.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.076 -1.015 . . . . 0.0 110.251 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -59.62 -39.8 85.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.395 -0.815 . . . . 0.0 109.753 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -75.75 -33.5 60.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.008 -1.057 . . . . 0.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 . . . . . 0 N--CA 1.494 1.771 0 O-C-N 120.678 -1.264 . . . . 0.0 110.68 -178.673 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.32 -39.93 92.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.557 -0.715 . . . . 0.0 110.175 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.71 -44.25 96.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.549 -0.72 . . . . 0.0 110.109 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.76 97.54 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.85 -39.57 85.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.428 -1.042 . . . . 0.0 110.523 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.72 -49.92 75.87 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.258 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.19 -39.93 86.46 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.082 -1.011 . . . . 0.0 109.138 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.26 80.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.91 136.6 57.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.657 -1.277 . . . . 0.0 109.451 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -161.99 -172.97 3.46 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 35.7 tt0 -63.44 148.09 49.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.27 -0.894 . . . . 0.0 109.194 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -65.38 79.4 0.06 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.294 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 68.2 mt-10 -94.39 -161.66 0.87 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.575 -0.703 . . . . 0.0 109.126 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -68.82 -30.03 68.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.51 -0.744 . . . . 0.0 109.439 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -59.77 -35.18 74.09 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.426 -0.796 . . . . 0.0 109.764 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -60.16 -40.45 89.93 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.084 -1.01 . . . . 0.0 109.026 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -61.16 -40.88 95.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.451 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -97.74 88.84 4.42 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -69.51 -28.5 66.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.71 -39.75 89.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.712 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.3 98.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.863 -1.148 . . . . 0.0 109.684 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.3 ttp -64.32 -40.88 96.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.578 0.704 . . . . 0.0 109.36 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.0 -41.21 97.81 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.086 -1.009 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -68.55 -39.85 80.9 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.395 -0.816 . . . . 0.0 109.79 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.89 -40.03 94.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.688 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -99.69 0.52 42.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.462 -0.774 . . . . 0.0 109.501 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 23' ' ' ALA . 99.2 m-20 53.41 46.74 25.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.597 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -116.56 151.6 47.26 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.7 Cg_endo -71.24 149.38 57.41 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 121.165 1.244 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -41.91 -19.95 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 121.902 1.735 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.4 t -59.86 -50.61 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.598 -1.314 . . . . 0.0 110.71 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.44 -41.14 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 119.329 -0.948 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.68 98.11 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.506 -0.746 . . . . 0.0 110.147 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -61.37 -40.24 93.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.951 -1.093 . . . . 0.0 109.686 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.21 -41.03 92.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.761 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.62 -40.26 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.578 -1.327 . . . . 0.0 107.999 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.79 -39.89 87.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.66 -38.89 84.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.694 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -70.04 -39.92 75.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.033 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.52 109.91 7.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.966 -1.084 . . . . 0.0 109.094 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -60.41 -40.32 90.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 110.465 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.14 -37.59 80.55 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.03 -34.81 43.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.215 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 120.772 -1.205 . . . . 0.0 110.002 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.05 -40.34 76.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.646 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.43 -44.03 97.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.094 -1.004 . . . . 0.0 109.114 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.38 91.47 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 64.8 mt -65.44 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.52 -0.988 . . . . 0.0 109.61 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.01 -42.22 93.84 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.066 -1.022 . . . . 0.0 109.113 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.99 -41.58 74.21 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.95 67.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.523 -0.736 . . . . 0.0 110.432 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -60.07 139.76 57.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.931 . . . . 0.0 109.199 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -167.48 161.11 13.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.809 . . . . 0.0 109.419 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' GLU . 34.6 tt0 -43.86 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.792 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.5 t60 -69.08 73.05 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.523 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' GLU . 98.5 mt-10 -82.93 -176.57 6.39 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.644 -0.66 . . . . 0.0 109.343 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -67.35 -28.7 68.18 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -57.54 -29.53 64.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.513 -0.742 . . . . 0.0 109.218 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.03 -39.69 86.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 108.683 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -59.97 -41.65 92.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.117 -0.99 . . . . 0.0 109.024 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.18 91.6 4.83 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.293 -0.879 . . . . 0.0 109.008 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -71.19 -23.62 62.07 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.104 -0.997 . . . . 0.0 109.82 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 20' ' ' ARG . 44.2 mtm-85 -60.23 -40.32 89.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.45 85.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 109.672 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.5 ttp -63.62 -42.32 98.2 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -66.29 -39.98 89.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.153 -0.967 . . . . 0.0 109.131 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -69.15 -39.95 78.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.364 -0.835 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.31 -40.07 89.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -99.74 2.4 44.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.385 -0.822 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 52.36 45.18 28.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.395 -0.816 . . . . 0.0 109.964 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 52.7 mt -115.3 152.73 47.18 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.73 160.05 51.17 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 121.555 1.503 . . . . 0.0 110.443 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -55.96 -17.57 19.58 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.308 2.006 . . . . 0.0 111.821 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.8 -50.0 81.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.729 -1.232 . . . . 0.0 109.904 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -69.49 -43.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.031 -1.043 . . . . 0.0 109.15 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.16 86.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.349 -0.844 . . . . 0.0 110.043 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -61.7 -39.78 92.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.976 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -59.96 -40.39 88.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.12 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.75 -39.99 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 108.534 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.14 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.79 85.09 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.768 -0.582 . . . . 0.0 110.4 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -70.18 -38.55 75.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.084 -1.01 . . . . 0.0 109.747 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 t -75.11 104.09 5.54 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.047 -1.033 . . . . 0.0 108.472 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.05 -37.9 81.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.48 -0.762 . . . . 0.0 110.63 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.281 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.3 -56.15 7.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.927 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.76 HE22 ' NE2' ' B' ' 44' ' ' GLN . 12.0 tt0 . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.359 -0.838 . . . . 0.0 110.787 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.95 -40.4 88.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.308 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.98 . . . . 0.0 109.184 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -35.54 91.52 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.18 -38.7 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.546 -0.973 . . . . 0.0 109.6 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.96 -42.21 93.6 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.036 -1.04 . . . . 0.0 109.148 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.89 -41.8 74.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 108.963 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.2 67.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.573 -0.704 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.96 139.52 57.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.935 . . . . 0.0 109.32 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -167.24 161.21 14.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.487 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 13' ' ' GLU . 34.2 tt0 -43.8 158.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.494 -0.753 . . . . 0.0 109.805 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 77.4 t60 -68.93 73.12 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.561 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 11' ' ' GLU . 98.5 mt-10 -83.06 -176.49 6.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.532 -0.73 . . . . 0.0 109.318 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.42 -28.57 68.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.165 -0.959 . . . . 0.0 108.576 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -57.67 -29.49 64.67 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.532 -0.73 . . . . 0.0 109.204 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.99 -39.82 87.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 108.741 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -60.01 -41.44 92.12 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.138 -0.976 . . . . 0.0 108.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.25 91.7 4.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.913 . . . . 0.0 108.982 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -71.35 -23.13 61.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -60.63 -40.25 91.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.016 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.64 85.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.139 -0.976 . . . . 0.0 109.501 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -63.29 -42.47 99.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.354 -0.841 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -66.3 -40.11 89.79 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.062 -1.024 . . . . 0.0 109.056 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -68.77 -40.05 79.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.384 -0.823 . . . . 0.0 109.395 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.72 2.58 44.39 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.351 -0.843 . . . . 0.0 109.839 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 94.5 m-20 52.22 45.19 28.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.264 -0.898 . . . . 0.0 109.817 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 51.9 mt -115.35 152.75 47.25 Favored Pre-proline 0 N--CA 1.498 1.943 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.8 160.02 51.24 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 121.543 1.496 . . . . 0.0 110.528 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.84 -17.45 18.53 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.258 1.972 . . . . 0.0 111.939 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -49.96 81.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.676 -1.265 . . . . 0.0 109.841 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.54 -43.59 80.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.163 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.08 86.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.351 -0.843 . . . . 0.0 110.016 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.77 -39.73 92.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.026 -1.046 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.9 -40.5 89.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.885 -1.134 . . . . 0.0 109.101 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.66 -39.98 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.085 -1.009 . . . . 0.0 108.536 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.24 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.78 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.654 . . . . 0.0 110.323 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.7 m -70.32 -38.6 74.94 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.005 -1.06 . . . . 0.0 109.743 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -74.94 104.14 5.42 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.958 -1.089 . . . . 0.0 108.471 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.99 -38.06 81.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.437 -0.79 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -59.51 -39.12 82.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.328 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.47 -56.26 7.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 109.838 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.76 ' NE2' HE22 ' A' ' 44' ' ' GLN . 52.6 tt0 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.296 -0.877 . . . . 0.0 110.774 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.559 0.695 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -40.02 95.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.455 -0.778 . . . . 0.0 109.921 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.11 -47.78 84.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.2 94.21 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.5 mt -65.74 -40.01 86.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.616 -0.932 . . . . 0.0 110.796 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.96 -49.76 76.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.88 -1.138 . . . . 0.0 109.365 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.53 -40.01 85.05 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.302 -0.874 . . . . 0.0 109.071 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.23 73.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -60.92 138.41 58.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 109.668 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 71.3 tt0 -170.53 165.24 8.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.569 -0.707 . . . . 0.0 109.264 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 10' ' ' GLU . 73.5 mm-40 -44.18 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.369 -0.832 . . . . 0.0 110.015 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -69.31 77.35 0.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.751 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.99 171.01 15.66 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.64 -0.662 . . . . 0.0 109.265 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.88 -27.57 68.31 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -57.93 -26.5 62.31 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.474 -0.766 . . . . 0.0 109.04 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -59.96 -40.12 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 108.652 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -63.17 -42.93 99.48 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.69 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.35 83.88 3.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.835 . . . . 0.0 108.875 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.443 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 60.4 p-90 -70.06 -26.97 64.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.733 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 56.5 mtt-85 -60.05 -40.83 90.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.971 -1.081 . . . . 0.0 109.661 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.03 79.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.0 109.273 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.9 ttp -62.54 -42.01 99.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.37 -0.831 . . . . 0.0 109.796 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.08 -1.012 . . . . 0.0 109.074 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.15 -40.02 78.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.453 -0.779 . . . . 0.0 109.533 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.2 -41.37 92.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.457 -0.777 . . . . 0.0 110.222 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.16 3.43 43.8 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.337 -0.852 . . . . 0.0 109.751 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.75 39.87 31.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 110.276 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.73 149.99 40.68 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.3 160.47 49.7 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.859 1.706 . . . . 0.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.55 -19.71 18.8 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.502 2.135 . . . . 0.0 111.866 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.76 -51.7 69.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.934 -1.104 . . . . 0.0 110.083 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.85 -43.63 82.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.135 -0.978 . . . . 0.0 108.883 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.72 95.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.372 -0.83 . . . . 0.0 109.813 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.69 -40.01 95.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.967 -1.083 . . . . 0.0 110.076 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.88 -41.8 96.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 109.984 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.26 -39.97 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 108.836 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.15 -39.91 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.35 83.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.661 -0.649 . . . . 0.0 110.615 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -70.99 -34.46 71.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.98 -1.075 . . . . 0.0 109.793 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.6 104.34 5.25 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.958 -1.089 . . . . 0.0 108.429 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.97 -39.15 84.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.563 -0.71 . . . . 0.0 110.368 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -59.91 -38.62 82.83 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.19 -0.944 . . . . 0.0 109.409 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -71.37 -50.03 36.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.069 . . . . 0.0 110.209 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.839 HE22 ' NE2' ' B' ' 44' ' ' GLN . 12.1 tt0 . . . . . 0 N--CA 1.495 1.79 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.553 0.692 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.81 -39.98 93.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.437 -0.789 . . . . 0.0 109.956 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.14 -47.8 84.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.905 . . . . 0.0 110.094 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.26 94.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.84 -39.98 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.566 -0.961 . . . . 0.0 110.668 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.93 -49.82 76.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.412 -0.805 . . . . 0.0 109.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.05 72.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.568 -0.708 . . . . 0.0 109.844 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.96 138.44 58.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 0.0 109.651 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 11' ' ' GLU . 71.7 tt0 -170.58 165.16 8.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.479 -0.763 . . . . 0.0 109.31 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 10' ' ' GLU . 73.8 mm-40 -44.17 166.57 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.275 -0.891 . . . . 0.0 109.899 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -69.2 77.3 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.963 . . . . 0.0 109.738 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.04 170.91 15.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.65 -0.657 . . . . 0.0 109.279 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.76 -27.79 68.56 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -57.78 -26.41 61.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.435 -0.791 . . . . 0.0 109.062 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.02 -40.25 88.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.088 . . . . 0.0 108.618 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -62.96 -43.07 99.8 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.219 -0.926 . . . . 0.0 108.657 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.34 83.85 3.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 108.89 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.449 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 60.5 p-90 -69.99 -27.03 64.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.082 -1.011 . . . . 0.0 109.753 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.449 ' NH1' ' CH2' ' B' ' 19' ' ' TRP . 56.0 mtt-85 -60.03 -40.86 90.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.026 . . . . 0.0 109.664 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.89 79.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.051 -1.03 . . . . 0.0 109.269 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.61 -42.0 99.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 0.0 109.791 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.81 98.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 109.141 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.19 -40.05 78.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.865 . . . . 0.0 110.418 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.05 3.33 44.05 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 109.868 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.77 40.06 31.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.526 -0.733 . . . . 0.0 110.232 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.3 mt -110.12 149.99 40.86 Favored Pre-proline 0 N--CA 1.499 1.99 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.17 160.43 49.89 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 121.9 1.733 . . . . 0.0 110.958 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.59 -19.68 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.488 2.126 . . . . 0.0 111.831 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.61 -51.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.021 -1.049 . . . . 0.0 110.176 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.72 -43.75 82.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.835 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.72 95.45 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.365 -0.834 . . . . 0.0 109.77 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.81 -39.94 95.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.93 -41.61 96.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 110.003 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.34 -39.98 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 108.841 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.17 -39.99 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.46 83.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -71.0 -34.5 71.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.958 -1.089 . . . . 0.0 109.808 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -74.61 104.35 5.26 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.047 -1.033 . . . . 0.0 108.447 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.95 -39.16 84.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.599 -0.688 . . . . 0.0 110.411 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -59.86 -38.82 83.23 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.469 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.3 -49.91 37.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 110.172 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.839 ' NE2' HE22 ' A' ' 44' ' ' GLN . 53.6 tt0 . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.35 -0.844 . . . . 0.0 109.995 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.501 0.667 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.4 -39.97 94.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.638 -0.664 . . . . 0.0 110.448 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.21 -40.68 96.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.22 -33.06 62.19 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.02 -39.83 85.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.623 -0.928 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.97 -40.87 90.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.85 -40.03 83.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.875 -1.141 . . . . 0.0 108.611 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -21.81 63.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.643 -0.66 . . . . 0.0 109.739 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.554 ' NE2' ' N ' ' A' ' 10' ' ' GLU . 3.3 tm0? -60.95 138.24 58.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 109.284 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.554 ' N ' ' NE2' ' A' ' 9' ' ' GLN . 34.5 tt0 -170.06 165.37 9.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 9.5 tp10 -57.54 145.08 34.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.634 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -57.09 78.98 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.566 -0.709 . . . . 0.0 109.855 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 4.6 tt0 -101.06 -153.97 0.47 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.425 -0.797 . . . . 0.0 109.415 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -69.97 -31.13 68.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.195 -0.941 . . . . 0.0 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -60.05 -39.77 87.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.666 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.01 -40.11 88.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.987 -1.071 . . . . 0.0 109.6 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.5 p -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.862 -1.149 . . . . 0.0 109.168 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -99.83 94.48 6.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.359 -0.838 . . . . 0.0 109.719 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -74.36 -25.33 59.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.36 -41.01 98.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.978 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.3 ttp -65.54 -40.07 92.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.484 -0.76 . . . . 0.0 109.888 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.67 95.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.047 -1.033 . . . . 0.0 108.919 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.96 75.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.434 -0.791 . . . . 0.0 110.072 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -61.13 -39.98 92.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 0.0 110.035 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -98.7 0.9 45.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.218 -0.926 . . . . 0.0 109.294 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 54.87 41.53 31.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.597 -0.689 . . . . 0.0 109.651 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.13 151.56 43.16 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.62 160.07 51.12 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.815 1.676 . . . . 0.0 111.082 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.48 -18.34 14.75 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.299 1.999 . . . . 0.0 111.412 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.97 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 110.71 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.4 -44.16 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.14 99.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.48 -0.763 . . . . 0.0 109.613 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -62.3 -40.01 94.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.05 . . . . 0.0 109.853 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -41.6 92.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.039 . . . . 0.0 110.138 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.3 -40.06 87.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.963 -1.086 . . . . 0.0 108.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.0 -39.92 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.04 71.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.468 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.65 -40.06 69.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.223 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -75.49 110.45 9.88 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 108.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -60.42 -40.05 89.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 110.62 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 110.115 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -75.98 -33.43 59.75 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.076 . . . . 0.0 109.743 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.272 -0.892 . . . . 0.0 110.851 -178.131 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.547 0.689 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -62.38 -39.95 94.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.474 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.17 -40.61 96.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.37 -32.86 61.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.17 -39.76 85.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.726 -0.867 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 110.064 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.87 -39.98 83.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.869 -1.145 . . . . 0.0 108.623 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.51 -21.8 63.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.673 -0.642 . . . . 0.0 109.83 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' B' ' 10' ' ' GLU . 3.2 tm0? -61.08 138.13 58.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 109.335 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.57 ' N ' ' NE2' ' B' ' 9' ' ' GLN . 34.3 tt0 -169.95 165.32 9.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.588 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' GLU . 9.5 tp10 -57.36 145.07 33.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.1 79.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.467 -0.771 . . . . 0.0 109.745 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' B' ' 11' ' ' GLU . 4.6 tt0 -101.22 -153.89 0.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -0.81 . . . . 0.0 109.411 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -69.94 -31.12 68.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.248 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -59.94 -39.96 87.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.959 -1.088 . . . . 0.0 109.627 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -63.19 -44.73 94.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.869 -1.145 . . . . 0.0 109.142 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -99.72 94.46 6.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 109.614 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -74.51 -25.13 59.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.956 . . . . 0.0 110.096 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.52 -40.84 98.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.078 -1.014 . . . . 0.0 110.017 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.66 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 0.0 109.116 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.5 ttp -65.54 -40.03 92.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.499 -0.75 . . . . 0.0 109.932 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.71 95.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.953 -1.092 . . . . 0.0 108.926 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.91 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.456 -0.777 . . . . 0.0 110.13 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -61.21 -39.9 91.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.328 -0.858 . . . . 0.0 110.008 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.8 0.86 45.23 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.195 -0.941 . . . . 0.0 109.207 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.02 41.44 31.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.615 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.07 151.48 43.07 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.44 160.15 50.91 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.833 1.689 . . . . 0.0 111.171 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.54 -18.29 14.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.337 2.025 . . . . 0.0 111.406 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.99 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.09 -1.006 . . . . 0.0 110.739 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.46 -44.28 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.955 -1.09 . . . . 0.0 108.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.16 99.42 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.461 -0.774 . . . . 0.0 109.642 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -62.14 -39.98 94.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.078 -1.014 . . . . 0.0 109.933 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 110.059 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.4 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.991 -1.068 . . . . 0.0 108.395 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.05 -39.97 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.2 -32.12 71.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.493 -0.754 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.62 -40.06 70.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.34 110.44 9.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.187 -0.945 . . . . 0.0 108.985 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.5 -39.92 89.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.358 -0.839 . . . . 0.0 110.589 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.4 m -76.0 -33.31 59.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.911 -1.118 . . . . 0.0 109.813 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 . . . . . 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 110.767 -178.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.725 0.774 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.53 -40.64 97.42 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.427 -0.795 . . . . 0.0 110.317 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -63.14 -42.43 99.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 110.203 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.98 95.16 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.8 mt -64.39 -41.3 91.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.576 -0.955 . . . . 0.0 109.967 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -59.52 -47.21 86.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.935 -1.103 . . . . 0.0 110.074 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -68.49 -40.74 80.82 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.848 -1.158 . . . . 0.0 109.501 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.49 68.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.452 -0.78 . . . . 0.0 110.15 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.7 tt0 -62.67 138.04 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.919 -1.113 . . . . 0.0 109.504 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -161.33 -173.76 3.98 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.97 157.11 25.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.023 . . . . 0.0 110.176 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 62.8 t60 -71.87 79.54 0.89 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.995 -1.066 . . . . 0.0 108.916 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -100.35 -160.83 0.82 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.71 . . . . 0.0 109.816 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -70.48 -26.36 63.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.913 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -60.75 -35.9 77.56 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 108.946 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -60.2 -39.74 87.61 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.626 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.7 p -60.34 -47.97 83.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.781 -1.199 . . . . 0.0 109.167 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -93.79 86.15 5.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.141 -0.975 . . . . 0.0 109.357 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -70.12 -25.78 63.65 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.169 -0.957 . . . . 0.0 109.693 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.12 -40.83 95.26 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.442 -0.786 . . . . 0.0 110.067 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.93 97.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.327 -0.858 . . . . 0.0 108.834 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -65.73 -40.17 91.91 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.92 98.45 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 109.278 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -69.17 -40.34 78.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.124 -0.985 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.7 -39.67 92.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 110.272 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.22 -0.15 39.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.173 -0.955 . . . . 0.0 109.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 54.63 46.24 25.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -0.813 . . . . 0.0 110.46 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 mt -114.31 152.07 45.65 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 158.5 56.28 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.946 1.764 . . . . 0.0 110.337 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.61 -21.63 14.98 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.082 1.855 . . . . 0.0 111.511 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -56.51 -54.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.886 -1.134 . . . . 0.0 109.824 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.94 -44.82 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.121 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.38 83.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.792 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.73 -38.33 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.652 -1.28 . . . . 0.0 110.541 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.65 -39.73 92.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.749 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.44 -39.69 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.77 -39.92 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.09 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.28 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.676 -0.64 . . . . 0.0 109.283 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -70.54 -37.74 74.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.106 -0.996 . . . . 0.0 109.031 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 t -73.97 109.6 7.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.132 -0.98 . . . . 0.0 108.926 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.09 -38.96 84.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.269 -0.894 . . . . 0.0 109.355 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -58.93 -39.97 83.18 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.998 -1.064 . . . . 0.0 110.19 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -80.11 -31.08 39.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.047 -1.033 . . . . 0.0 110.838 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 . . . . . 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.841 . . . . 0.0 111.666 -177.637 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.545 0.688 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.46 -40.92 96.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.521 -0.737 . . . . 0.0 110.196 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.52 -43.86 95.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.477 -0.764 . . . . 0.0 109.996 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -37.81 95.26 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.24 -40.04 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.767 -0.843 . . . . 0.0 110.495 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -60.02 -46.41 89.6 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.855 -1.153 . . . . 0.0 109.885 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.33 -40.83 77.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.774 -1.204 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.23 72.07 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.297 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.54 137.9 58.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.956 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -161.27 -176.26 5.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -62.86 154.89 28.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.01 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' B' ' 12' ' ' HIS . 65.0 t60 -69.62 79.4 0.42 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.512 -0.743 . . . . 0.0 109.32 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -100.31 -162.63 0.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.638 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.14 -26.81 65.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.467 -0.77 . . . . 0.0 109.543 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.27 -39.97 88.71 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.242 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -61.79 -46.85 87.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.225 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -93.55 85.97 5.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -70.27 -26.85 64.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.889 -1.132 . . . . 0.0 109.761 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.09 -41.25 92.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.937 -1.102 . . . . 0.0 110.36 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.7 91.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.19 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.57 -41.14 89.02 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.65 -0.656 . . . . 0.0 109.739 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.46 96.74 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.358 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -68.79 -40.27 79.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.15 -40.48 96.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.901 -1.124 . . . . 0.0 110.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.08 -0.48 41.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.334 -0.854 . . . . 0.0 109.798 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 54.48 45.59 26.71 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.545 -0.722 . . . . 0.0 109.973 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.48 151.35 44.38 Favored Pre-proline 0 N--CA 1.499 1.982 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.85 158.12 57.92 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.83 1.687 . . . . 0.0 110.683 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.4 -21.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 121.907 1.738 . . . . 0.0 111.467 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.54 -53.29 46.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.824 -1.173 . . . . 0.0 110.178 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.73 -44.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 109.194 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.7 84.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.511 -0.743 . . . . 0.0 109.986 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -62.08 -39.7 93.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.583 -1.323 . . . . 0.0 110.189 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.4 -39.94 92.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.832 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.73 -39.68 84.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.879 -1.138 . . . . 0.0 108.23 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.23 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.271 -0.893 . . . . 0.0 108.872 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.94 69.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.392 -0.817 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -36.87 69.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.114 -0.992 . . . . 0.0 108.957 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 24.5 t -75.35 109.48 8.91 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.265 -0.897 . . . . 0.0 109.016 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.68 -38.28 81.11 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.691 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -59.29 -40.28 85.67 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.062 -1.024 . . . . 0.0 110.263 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.06 -31.13 39.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.032 -1.042 . . . . 0.0 110.821 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 N--CA 1.495 1.787 0 O-C-N 121.007 -1.058 . . . . 0.0 111.987 -177.309 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.214 0.53 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.24 -41.54 96.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.19 -40.67 96.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.381 -0.824 . . . . 0.0 109.899 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.49 -36.1 92.69 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.65 -39.69 82.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -1.094 . . . . 0.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.35 -42.55 91.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.82 -1.175 . . . . 0.0 110.279 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.31 -41.05 73.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 109.483 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.88 62.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.756 -0.59 . . . . 0.0 110.899 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.3 140.29 58.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 109.445 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.61 -175.72 3.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.117 -0.989 . . . . 0.0 109.424 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.79 154.91 41.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.171 -0.956 . . . . 0.0 109.82 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.75 72.78 0.55 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.535 -0.728 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -102.17 -149.71 0.39 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.573 -0.705 . . . . 0.0 109.861 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.27 -32.56 70.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.471 -0.768 . . . . 0.0 109.852 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 109.699 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -60.32 -44.86 95.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.148 -0.97 . . . . 0.0 109.64 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -98.01 100.37 11.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.289 -0.882 . . . . 0.0 108.759 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.467 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 55.7 p-90 -77.25 -24.86 51.09 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.387 -0.821 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 58.7 mtt-85 -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.407 -0.808 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.54 97.38 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.069 -1.053 . . . . 0.0 108.706 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.2 ttm -62.5 -44.16 97.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.324 -0.86 . . . . 0.0 109.898 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.79 -44.98 94.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -67.33 -40.07 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.597 -0.689 . . . . 0.0 109.882 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.4 -40.59 94.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.212 -0.93 . . . . 0.0 109.852 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -100.59 1.93 41.27 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.489 -0.757 . . . . 0.0 110.136 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.1 m-20 55.02 43.64 29.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.509 -0.744 . . . . 0.0 110.185 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 41.8 mt -116.92 150.71 46.36 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.1 162.12 36.99 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.892 1.728 . . . . 0.0 110.778 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.05 -20.74 24.55 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.689 2.26 . . . . 0.0 112.623 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.01 -48.63 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.686 -1.259 . . . . 0.0 110.751 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.62 -44.54 82.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.878 -1.139 . . . . 0.0 109.204 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.26 94.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -63.03 -39.47 94.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.167 -0.958 . . . . 0.0 109.747 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.49 -40.15 90.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.851 -1.156 . . . . 0.0 109.339 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.04 -40.05 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.905 -1.122 . . . . 0.0 108.744 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.81 -40.06 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.185 -0.947 . . . . 0.0 108.539 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' B' ' 38' ' ' ALA . . . -66.58 -35.51 80.37 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.599 -0.688 . . . . 0.0 109.609 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -72.56 -38.85 67.84 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.316 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.76 114.21 15.27 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.45 -39.75 88.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.0 110.585 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.42 -41.15 93.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.908 -1.12 . . . . 0.0 110.156 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.56 -29.88 37.03 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.279 -0.888 . . . . 0.0 110.309 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 . . . . . 0 N--CA 1.497 1.894 0 O-C-N 121.238 -0.914 . . . . 0.0 110.951 -177.539 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.44 -40.9 98.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.359 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.18 -41.37 97.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.377 -0.827 . . . . 0.0 109.858 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.81 91.73 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.94 -39.76 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -1.039 . . . . 0.0 110.375 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.38 -41.8 90.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.883 -1.136 . . . . 0.0 110.687 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -70.62 -39.95 73.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.832 -1.168 . . . . 0.0 109.369 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -25.62 61.66 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.7 -0.625 . . . . 0.0 110.59 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.95 139.88 58.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.043 -1.036 . . . . 0.0 109.859 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -165.02 -175.93 3.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.872 . . . . 0.0 109.291 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.81 154.15 42.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 110.254 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.84 71.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.451 -0.781 . . . . 0.0 109.269 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -100.82 -149.66 0.38 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.566 0.698 . . . . 0.0 110.152 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.91 -32.82 71.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.708 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -60.3 -39.7 87.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.336 -0.853 . . . . 0.0 109.967 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -60.44 -40.22 90.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.992 -1.067 . . . . 0.0 109.655 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -60.06 -45.33 93.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.162 -0.961 . . . . 0.0 109.289 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.13 99.39 10.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.361 -0.837 . . . . 0.0 109.166 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.404 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 54.0 p-90 -76.58 -25.23 53.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.0 mtt-85 -60.62 -40.39 91.75 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.94 97.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.029 -1.044 . . . . 0.0 109.009 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -62.46 -43.79 97.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 110.121 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.48 -44.66 93.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.06 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.6 t -67.58 -40.18 84.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.635 -0.666 . . . . 0.0 109.716 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -61.39 -40.29 93.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.357 -0.839 . . . . 0.0 109.467 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -100.8 0.92 39.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.453 -0.779 . . . . 0.0 110.241 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 56.37 42.36 27.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.355 -0.841 . . . . 0.0 110.405 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.462 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 47.3 mt -116.28 151.42 46.77 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.46 162.09 38.17 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 121.627 1.551 . . . . 0.0 111.036 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.49 -19.41 22.83 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.554 2.169 . . . . 0.0 112.46 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -49.88 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.712 -1.243 . . . . 0.0 110.615 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.74 -45.78 87.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 120.99 -1.069 . . . . 0.0 109.396 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.93 96.77 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.854 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.41 -39.5 94.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.886 -1.134 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.78 -40.05 91.11 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.723 -1.236 . . . . 0.0 109.695 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.73 -40.49 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.796 -1.19 . . . . 0.0 108.739 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.68 -40.89 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -66.17 -37.16 84.97 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.532 -0.73 . . . . 0.0 109.419 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -70.18 -39.12 75.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.429 -0.794 . . . . 0.0 110.125 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.6 114.37 15.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.994 -1.066 . . . . 0.0 108.732 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.51 -40.03 89.92 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.377 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.17 -41.77 93.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.798 -1.189 . . . . 0.0 110.298 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -79.82 -28.89 40.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.0 110.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 32.2 tt0 . . . . . 0 N--CA 1.499 1.984 0 O-C-N 121.104 -0.997 . . . . 0.0 111.103 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 121.828 0.823 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.82 -40.5 97.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 110.953 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.77 -39.94 91.53 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.171 -0.956 . . . . 0.0 111.424 -178.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.56 -34.93 90.44 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.841 -1.704 . . . . 0.0 108.841 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.97 -40.05 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 121.376 -1.073 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.33 -178.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.451 -1.406 . . . . 0.0 108.904 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.31 78.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.723 -0.611 . . . . 0.0 110.199 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -65.65 127.31 31.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.308 -0.87 . . . . 0.0 110.194 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -147.3 -165.04 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.331 -0.855 . . . . 0.0 109.047 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' GLU . 67.1 mm-40 -69.83 153.78 42.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 109.351 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 70.1 t60 -64.71 71.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 109.676 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 11' ' ' GLU . 86.5 mt-10 -94.05 -162.14 0.91 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.365 -0.834 . . . . 0.0 109.368 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 17' ' ' SER . 67.9 mttm -69.89 -25.61 63.78 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.547 -0.721 . . . . 0.0 109.822 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.88 -36.6 77.28 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.28 -40.67 86.86 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.592 -1.318 . . . . 0.0 109.106 179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 78.3 p -62.56 -42.63 99.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.882 -1.136 . . . . 0.0 108.844 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -92.4 84.05 5.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.947 -1.096 . . . . 0.0 108.734 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -71.39 -24.17 62.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 0.0 109.757 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -61.75 -40.39 94.95 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.579 -1.326 . . . . 0.0 109.76 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.49 94.24 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.0 ttm -61.74 -47.07 86.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.33 -0.856 . . . . 0.0 109.268 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.078 -1.014 . . . . 0.0 109.535 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -69.11 -40.26 78.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.38 -0.825 . . . . 0.0 110.12 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.73 -40.85 93.87 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.279 -0.888 . . . . 0.0 109.981 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -102.89 1.82 34.43 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 0.0 110.47 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.0 m-20 53.06 47.42 24.6 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 110.434 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 38.4 mt -118.02 152.04 49.79 Favored Pre-proline 0 N--CA 1.501 2.092 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.73 161.63 42.92 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.513 1.475 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.9 -20.45 13.25 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 122.736 2.291 . . . . 0.0 112.048 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -50.63 79.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.075 -1.016 . . . . 0.0 111.174 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.81 -42.55 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.479 -1.388 . . . . 0.0 109.032 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.28 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 109.678 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -62.25 -40.19 95.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.876 -1.14 . . . . 0.0 109.668 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.4 tm-20 -61.21 -40.57 94.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.05 . . . . 0.0 109.633 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.49 -40.5 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.865 -1.147 . . . . 0.0 108.773 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.94 -40.0 87.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.88 -28.4 65.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.531 -0.731 . . . . 0.0 110.1 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.411 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 47.1 m -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.018 -1.051 . . . . 0.0 109.322 -179.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 t -71.74 113.32 8.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 109.408 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.33 -40.05 89.25 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.08 -1.013 . . . . 0.0 110.128 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.29 -39.64 87.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.41 -0.806 . . . . 0.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.401 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 60.8 m -78.09 -35.73 49.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.035 -1.041 . . . . 0.0 109.976 -179.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.696 . . . . 0.0 109.783 -178.628 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.431 0.634 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.74 -42.27 92.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.684 . . . . 0.0 111.167 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.26 -41.05 97.12 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.699 -1.251 . . . . 0.0 110.816 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.72 92.41 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.0 mt -67.44 -40.02 83.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.185 -1.186 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.31 -49.94 75.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.727 -1.233 . . . . 0.0 109.974 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.41 -39.52 89.03 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.866 -1.146 . . . . 0.0 109.12 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.84 76.79 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.738 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.17 129.8 41.04 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 110.644 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -148.76 -164.93 2.14 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 13' ' ' GLU . 65.5 mm-40 -71.05 154.03 42.11 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.33 -0.856 . . . . 0.0 109.271 179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -64.44 73.1 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 11' ' ' GLU . 90.3 mt-10 -96.53 -162.14 0.93 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.581 -0.699 . . . . 0.0 109.229 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.94 -26.62 64.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.706 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -59.7 -35.54 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.917 -1.114 . . . . 0.0 110.199 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.15 -41.0 91.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.605 -1.309 . . . . 0.0 108.666 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -61.95 -44.07 97.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.961 -1.087 . . . . 0.0 108.496 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -92.02 86.19 5.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.0 109.152 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -72.33 -25.67 61.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.512 -0.743 . . . . 0.0 110.001 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -60.41 -41.56 94.18 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.819 -0.753 . . . . 0.0 109.781 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.22 92.61 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.151 -0.968 . . . . 0.0 110.111 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.89 -46.47 89.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.899 -1.126 . . . . 0.0 109.067 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.81 -41.77 99.44 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.684 0.754 . . . . 0.0 109.815 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.2 -39.96 78.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.74 -41.45 95.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.354 -0.841 . . . . 0.0 109.807 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.64 0.28 35.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.373 -0.829 . . . . 0.0 110.024 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.08 50.81 15.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.168 -0.958 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.7 mt -122.44 153.0 62.12 Favored Pre-proline 0 N--CA 1.498 1.972 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.77 160.57 47.7 Favored 'Trans proline' 0 N--CA 1.503 2.079 0 C-N-CA 121.88 1.72 . . . . 0.0 112.289 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.18 -19.37 12.06 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.579 2.186 . . . . 0.0 112.052 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -50.38 80.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.049 -1.032 . . . . 0.0 110.711 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.79 -44.71 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.746 -1.221 . . . . 0.0 108.676 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.48 97.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -0.97 . . . . 0.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -63.73 -39.92 95.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.08 -1.012 . . . . 0.0 109.609 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.45 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.6 tm-20 -60.51 -41.2 93.87 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.125 -0.984 . . . . 0.0 109.974 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -64.89 -40.44 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.07 -40.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.425 -0.797 . . . . 0.0 109.133 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.93 -29.66 66.86 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.572 0.701 . . . . 0.0 110.226 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.45 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 65.8 m -70.72 -39.1 73.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.855 -1.153 . . . . 0.0 109.196 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.17 113.7 9.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.016 -1.053 . . . . 0.0 109.196 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.99 -40.26 88.57 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.608 -0.683 . . . . 0.0 109.552 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.7 -40.03 90.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.018 -1.051 . . . . 0.0 111.209 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.05 -34.97 50.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.874 -1.141 . . . . 0.0 109.981 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.5 tt0 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.222 -0.924 . . . . 0.0 110.365 -178.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.157 0.503 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.83 -40.09 95.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.359 -0.838 . . . . 0.0 110.204 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.66 -42.59 98.07 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.133 -0.98 . . . . 0.0 109.621 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.31 96.8 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.56 -39.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.422 -1.046 . . . . 0.0 109.989 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.5 -49.68 76.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.149 -0.969 . . . . 0.0 110.63 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -68.05 -40.25 82.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.922 -1.112 . . . . 0.0 109.461 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -26.43 64.5 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 109.95 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.17 131.59 51.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 108.991 -179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 45.3 tt0 -153.85 161.13 42.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.351 -0.843 . . . . 0.0 108.95 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.5 tp10 -53.02 153.35 3.51 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 109.335 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -65.91 70.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.447 -0.783 . . . . 0.0 109.356 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.7 tt0 -101.07 -149.75 0.38 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.647 0.737 . . . . 0.0 109.648 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 98.4 mttt -70.18 -34.67 73.25 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.528 -0.732 . . . . 0.0 110.948 -179.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -59.82 -37.79 80.19 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.152 -0.967 . . . . 0.0 109.141 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.47 ' NE2' ' O ' ' A' ' 10' ' ' GLU . 7.5 m170 -60.54 -42.24 96.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.875 -1.14 . . . . 0.0 109.072 179.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -60.36 -48.59 81.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.939 -1.1 . . . . 0.0 109.599 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -95.98 87.89 4.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.054 -1.029 . . . . 0.0 109.588 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.611 ' CE2' ' NZ ' ' A' ' 34' ' ' LYS . 66.1 p-90 -70.05 -22.47 63.07 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.217 -0.927 . . . . 0.0 109.589 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.35 -40.88 92.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.053 -1.029 . . . . 0.0 109.092 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.18 94.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.126 -0.984 . . . . 0.0 109.195 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.476 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.1 ttm -60.75 -45.98 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.419 -0.8 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.11 -42.16 99.5 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.327 -0.858 . . . . 0.0 109.371 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 t -69.87 -40.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -60.42 -40.2 90.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -100.84 1.76 40.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.539 -0.725 . . . . 0.0 109.68 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.2 m-20 53.61 44.95 29.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.0 mt -116.4 152.67 48.35 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.54 161.32 46.46 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 121.458 1.439 . . . . 0.0 110.737 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.21 -17.54 11.97 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.542 2.161 . . . . 0.0 111.793 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.16 -50.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.0 110.441 -178.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.81 -47.96 77.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 120.975 -1.078 . . . . 0.0 109.149 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.81 94.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' A' ' 19' ' ' TRP . 17.3 mmtm -63.98 -39.97 95.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.089 -1.007 . . . . 0.0 109.762 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 5.5 tm-20 -60.78 -40.29 92.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.031 -1.043 . . . . 0.0 109.805 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.476 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.8 mt -61.72 -39.73 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.37 -39.52 83.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.68 74.17 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.876 -0.515 . . . . 0.0 109.749 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.452 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 68.6 m -73.92 -39.03 64.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.171 -0.955 . . . . 0.0 110.166 -179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.03 117.42 18.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 108.799 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.46 -40.1 93.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.139 -0.976 . . . . 0.0 110.234 -179.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.9 -42.07 97.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.413 -0.805 . . . . 0.0 110.183 -179.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.2 m -79.21 -23.59 43.69 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.056 -1.027 . . . . 0.0 109.942 -179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.25 -0.906 . . . . 0.0 110.268 -178.326 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.249 0.547 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.7 -40.05 95.82 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.393 -0.817 . . . . 0.0 110.129 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 3' ' ' ASP . 31.6 t0 -64.08 -41.26 97.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.546 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 -37.85 95.16 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.33 -39.61 85.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.659 -0.907 . . . . 0.0 109.964 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.86 -49.36 78.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.926 -1.109 . . . . 0.0 110.816 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -67.44 -40.47 85.43 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.987 -1.071 . . . . 0.0 109.084 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -26.77 64.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.558 -0.714 . . . . 0.0 110.102 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.14 131.79 51.92 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.156 -0.965 . . . . 0.0 109.352 -179.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 46.9 tt0 -155.38 158.5 38.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.866 . . . . 0.0 109.233 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' B' ' 13' ' ' GLU . 8.5 tp10 -50.05 153.9 1.27 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.204 -0.935 . . . . 0.0 109.39 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 71.1 t60 -67.25 71.91 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.9 . . . . 0.0 109.604 -179.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 11' ' ' GLU . 15.3 tt0 -101.73 -149.79 0.39 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.579 0.704 . . . . 0.0 109.62 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.02 -34.36 73.17 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.609 -0.682 . . . . 0.0 110.996 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -60.18 -39.02 85.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.095 -1.003 . . . . 0.0 109.199 -178.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' B' ' 10' ' ' GLU . 7.7 m170 -60.56 -41.3 94.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.79 -1.194 . . . . 0.0 109.025 179.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.6 -49.42 77.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.8 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.22 88.27 5.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.178 -0.951 . . . . 0.0 109.207 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 34' ' ' LYS . 66.5 p-90 -70.37 -22.58 62.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.078 -1.014 . . . . 0.0 109.57 179.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.94 -39.81 90.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.78 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.067 . . . . 0.0 108.667 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.2 ttm -60.9 -45.59 94.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.851 . . . . 0.0 109.756 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -63.85 -41.94 97.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.082 -1.011 . . . . 0.0 109.531 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -69.28 -40.5 77.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.905 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.56 -40.65 92.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 0.0 109.571 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.34 1.86 41.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.48 -0.763 . . . . 0.0 109.714 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 23' ' ' ALA . 96.0 m-20 53.61 44.4 29.82 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.468 -0.77 . . . . 0.0 109.266 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 56.8 mt -115.36 152.79 47.31 Favored Pre-proline 0 N--CA 1.5 2.074 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 161.56 45.55 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.688 1.592 . . . . 0.0 110.95 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.56 -17.41 12.79 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.443 2.095 . . . . 0.0 111.623 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.55 -50.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.058 -1.027 . . . . 0.0 110.406 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.93 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.65 98.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 19' ' ' TRP . 17.6 mmtm -63.03 -39.79 95.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.209 -0.932 . . . . 0.0 109.608 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.466 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.2 tm-20 -61.1 -40.66 94.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 109.487 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.495 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -61.26 -40.3 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 108.831 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.76 -40.53 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.28 73.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.931 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.466 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 69.8 m -73.94 -39.64 63.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.039 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.0 t -76.71 118.9 19.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.064 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.06 -40.18 94.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 110.496 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.01 -41.38 98.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 110.358 -178.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 40.0 m -79.6 -22.45 43.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.787 -1.196 . . . . 0.0 110.037 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 N--CA 1.489 1.493 0 O-C-N 121.256 -0.902 . . . . 0.0 109.913 -178.477 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.27 0.557 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.08 -42.39 94.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.592 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -64.14 -39.96 95.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.994 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.51 97.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.85 -40.07 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.618 -0.931 . . . . 0.0 110.682 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -46.29 89.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.15 . . . . 0.0 109.645 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.45 -39.96 77.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.104 -0.997 . . . . 0.0 109.172 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.14 62.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.54 -0.725 . . . . 0.0 110.109 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.15 137.68 58.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.179 -0.951 . . . . 0.0 109.876 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -158.42 165.71 34.0 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -59.48 152.15 22.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.091 -1.005 . . . . 0.0 109.48 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.91 78.05 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.428 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 11' ' ' GLU . 75.5 mm-40 -100.59 -159.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.638 -0.663 . . . . 0.0 109.38 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.01 -30.64 68.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.244 -0.91 . . . . 0.0 109.758 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.03 -36.25 76.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.387 -0.821 . . . . 0.0 109.188 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -59.96 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.052 -1.03 . . . . 0.0 109.182 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -60.06 -45.74 91.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.966 -1.084 . . . . 0.0 109.118 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.12 88.98 5.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 109.435 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.94 -29.02 66.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.948 . . . . 0.0 109.684 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 40.3 mtm-85 -60.8 -41.06 94.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 110.481 -178.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.963 -1.086 . . . . 0.0 109.056 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 ttp -65.37 -40.68 93.85 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.439 -0.788 . . . . 0.0 109.578 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.93 96.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.232 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -66.26 -39.98 89.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 0.0 109.907 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.61 -40.02 95.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -0.924 . . . . 0.0 110.025 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -98.42 -0.53 43.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 53.85 46.52 25.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.779 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.21 150.9 46.05 Favored Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.35 159.93 51.78 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 121.342 1.361 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.66 -21.22 10.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.685 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.47 -54.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.84 -44.99 92.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.413 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.92 89.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.428 -0.795 . . . . 0.0 109.85 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -63.28 -39.34 94.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.154 -0.966 . . . . 0.0 110.066 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.73 -1.232 . . . . 0.0 109.692 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.2 -39.96 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.406 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.68 -39.96 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.94 95.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 109.384 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m -71.59 -39.98 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.94 111.46 10.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.982 -1.074 . . . . 0.0 108.772 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.15 -39.92 88.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.323 -0.861 . . . . 0.0 110.674 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.38 -40.02 89.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 110.375 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.23 -27.27 47.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.023 -1.048 . . . . 0.0 110.038 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.25 -0.906 . . . . 0.0 110.534 -178.544 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.0 -42.59 94.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.231 -0.918 . . . . 0.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.06 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.44 97.12 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.91 -40.06 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -1.008 . . . . 0.0 110.707 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.04 -46.32 89.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.941 -1.099 . . . . 0.0 109.588 -179.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.38 -40.07 77.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.936 . . . . 0.0 109.167 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.2 63.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.577 -0.702 . . . . 0.0 110.168 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.14 137.69 58.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 0.0 109.88 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -158.47 165.61 34.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.0 108.791 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 13' ' ' GLU . 51.1 mt-10 -59.27 152.13 21.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.948 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.92 78.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.425 -0.797 . . . . 0.0 109.405 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 11' ' ' GLU . 75.6 mm-40 -100.47 -159.29 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.632 -0.668 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -30.63 67.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -60.04 -36.19 76.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.313 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -60.09 -39.93 87.83 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.092 -1.005 . . . . 0.0 109.141 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -60.16 -45.7 92.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.873 -1.142 . . . . 0.0 109.037 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.08 89.01 5.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.99 -29.02 66.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.664 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' B' ' 20' ' ' ARG . 40.1 mtm-85 -60.85 -40.97 94.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -178.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.27 95.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.989 -1.07 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -65.3 -40.74 94.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.443 -0.786 . . . . 0.0 109.617 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.92 96.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.081 -1.012 . . . . 0.0 109.229 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -66.25 -39.99 89.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.391 -0.818 . . . . 0.0 109.896 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.56 -40.01 95.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.149 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -98.57 -0.42 43.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.198 -0.939 . . . . 0.0 109.989 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 53.85 46.42 25.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 109.76 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -116.12 150.86 45.9 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.24 159.97 51.7 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 121.303 1.336 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.66 -21.27 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.361 2.04 . . . . 0.0 111.768 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.44 -54.41 31.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 110.39 -178.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.85 -45.07 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.111 -0.993 . . . . 0.0 109.388 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.85 89.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.32 -39.23 93.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.121 -0.987 . . . . 0.0 110.105 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.633 -1.292 . . . . 0.0 109.634 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.21 -40.05 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.968 -1.082 . . . . 0.0 108.458 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.6 -40.0 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.95 95.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.611 -0.68 . . . . 0.0 109.32 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.8 m -71.57 -40.04 70.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.057 -1.027 . . . . 0.0 109.535 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -74.96 111.37 10.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.958 -1.089 . . . . 0.0 108.776 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.13 -39.96 88.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.347 -0.845 . . . . 0.0 110.549 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.26 -39.92 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.0 110.513 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.27 -27.39 47.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 110.619 -178.549 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.64 -40.08 84.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.51 -43.14 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.956 . . . . 0.0 110.383 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.39 97.32 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.76 -40.07 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.641 -0.917 . . . . 0.0 110.327 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.98 -48.61 81.01 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 -178.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.79 -40.02 79.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.854 -1.154 . . . . 0.0 109.649 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -28.77 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.017 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.49 137.6 58.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.782 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -169.9 163.93 9.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.34 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.966 -1.084 . . . . 0.0 109.513 -179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -70.15 79.02 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.099 -1.001 . . . . 0.0 110.29 -178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -77.13 170.56 16.32 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.9 -28.16 69.65 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.3 -24.34 64.9 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.397 -0.814 . . . . 0.0 110.117 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.74 -39.91 86.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.805 -1.184 . . . . 0.0 109.39 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -60.42 -43.08 97.11 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.771 -1.206 . . . . 0.0 108.9 179.346 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -92.62 85.0 5.14 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.162 -0.961 . . . . 0.0 109.288 179.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -70.14 -26.74 64.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.242 -0.911 . . . . 0.0 109.842 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.92 -41.38 96.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.115 -0.99 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.07 90.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 109.648 -179.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.6 ttm -60.92 -43.33 98.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 110.013 -179.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.64 93.16 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 109.681 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -64.77 -39.92 94.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.444 -0.785 . . . . 0.0 110.231 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.72 -40.04 95.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.956 . . . . 0.0 110.225 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -100.41 1.2 41.1 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.178 -0.951 . . . . 0.0 110.242 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.85 46.74 23.84 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.371 -0.831 . . . . 0.0 109.589 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.1 mt -118.99 151.62 50.66 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.0 Cg_endo -70.26 148.62 62.25 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.639 1.559 . . . . 0.0 111.342 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -41.6 -20.37 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.277 1.985 . . . . 0.0 112.74 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.7 t -60.08 -50.5 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 111.035 -178.146 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.58 -41.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 120.874 -1.141 . . . . 0.0 109.171 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.19 95.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.9 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.72 -37.53 86.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.059 -1.026 . . . . 0.0 110.058 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.92 -40.08 87.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.962 -1.086 . . . . 0.0 109.616 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.409 HD12 ' SD ' ' A' ' 22' ' ' MET . 94.6 mt -61.18 -40.02 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.842 -1.162 . . . . 0.0 108.784 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -40.1 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.853 . . . . 0.0 108.806 178.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.95 93.8 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.615 -0.678 . . . . 0.0 109.44 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -72.07 -39.95 68.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 109.678 -179.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 t -76.02 107.6 8.34 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.05 -39.83 87.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 109.943 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 -32.38 59.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.987 -1.07 . . . . 0.0 109.582 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.9 tt0 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 111.362 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.4 -40.02 85.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.441 -0.787 . . . . 0.0 110.069 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.78 -43.19 99.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.293 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -39.59 97.51 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.57 -40.0 83.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.62 -0.929 . . . . 0.0 110.414 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.98 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.929 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.75 -40.11 79.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.844 -1.16 . . . . 0.0 109.658 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.85 65.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.454 -0.779 . . . . 0.0 110.081 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.4 137.74 58.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.774 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -169.93 164.0 9.58 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.51 169.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.892 -1.13 . . . . 0.0 109.491 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -69.99 79.04 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.107 -0.996 . . . . 0.0 110.347 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -77.08 170.67 16.11 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.08 -27.92 69.43 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.55 -23.97 65.03 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.3 -0.875 . . . . 0.0 110.072 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.747 -1.22 . . . . 0.0 109.277 -179.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -60.46 -42.98 97.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 108.793 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -92.77 84.79 5.04 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 179.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -70.07 -26.57 64.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.0 109.874 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.89 -41.01 95.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.837 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.96 91.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.845 . . . . 0.0 109.651 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.429 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.9 ttm -61.08 -43.27 99.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.38 -0.825 . . . . 0.0 109.875 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.28 94.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.762 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -65.25 -40.03 93.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 110.197 -179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.59 -40.01 95.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.96 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -100.25 1.43 41.77 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.294 -0.879 . . . . 0.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.48 46.82 24.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 109.642 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -118.99 151.42 50.39 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.419 -0.8 . . . . 0.0 108.867 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.5 Cg_endo -70.11 148.56 63.1 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.628 1.552 . . . . 0.0 111.407 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.59 -20.4 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.301 2.001 . . . . 0.0 112.688 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.6 t -60.02 -50.71 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.903 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.24 -41.8 81.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.868 -1.145 . . . . 0.0 109.129 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.26 95.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.354 -0.841 . . . . 0.0 109.826 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.67 -37.76 87.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.059 -1.026 . . . . 0.0 109.918 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -59.92 -40.08 87.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.931 -1.106 . . . . 0.0 109.455 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -60.91 -40.07 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.778 -1.202 . . . . 0.0 108.813 179.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.21 -40.01 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.28 -39.81 93.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.696 -0.628 . . . . 0.0 109.462 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -72.21 -39.96 68.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -0.954 . . . . 0.0 109.622 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.99 107.64 8.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 108.285 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.447 -0.783 . . . . 0.0 109.857 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.01 -40.08 87.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.378 -0.826 . . . . 0.0 110.034 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -75.84 -32.16 59.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.002 -1.061 . . . . 0.0 109.694 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.4 tt0 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 111.318 -177.899 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.488 0.661 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.76 -42.44 98.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.705 -0.622 . . . . 0.0 111.031 -178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.02 -40.61 98.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.929 -1.107 . . . . 0.0 109.83 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -40.06 98.23 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.66 -40.71 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.671 -0.899 . . . . 0.0 110.551 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -59.84 -46.59 88.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.797 -1.19 . . . . 0.0 110.022 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.16 -40.31 82.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.172 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -28.59 65.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.145 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.33 140.2 58.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.0 109.833 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.89 -179.79 5.45 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLU . 88.2 tt0 -61.44 152.1 30.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.666 -1.271 . . . . 0.0 109.898 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 64.4 t60 -64.02 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.61 0.719 . . . . 0.0 110.076 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.8 mt-10 -84.35 -165.64 1.22 Allowed 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.668 -0.645 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.12 -29.3 66.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.733 -0.604 . . . . 0.0 109.465 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.25 -32.49 68.41 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.426 -0.796 . . . . 0.0 109.919 -178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -59.86 -40.23 87.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.681 -1.262 . . . . 0.0 108.463 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -47.15 85.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -93.04 82.17 4.59 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -69.68 -27.72 65.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.185 -0.947 . . . . 0.0 109.924 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.69 -40.3 94.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.039 -1.038 . . . . 0.0 110.419 -179.239 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.53 96.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -0.922 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.06 97.51 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.586 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -68.67 -39.84 80.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.83 -41.29 95.47 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.191 -0.943 . . . . 0.0 110.201 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -98.42 1.18 46.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.101 -1.0 . . . . 0.0 109.287 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 55.2 43.2 29.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.422 -0.799 . . . . 0.0 110.583 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 mt -111.85 150.24 42.01 Favored Pre-proline 0 N--CA 1.503 2.196 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 42.1 Cg_endo -68.77 148.96 72.48 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.416 1.41 . . . . 0.0 111.292 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.43 -20.4 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.072 1.848 . . . . 0.0 112.041 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' PRO . 74.2 t -59.62 -52.05 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.142 -0.974 . . . . 0.0 111.118 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.97 -41.42 81.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.894 -1.129 . . . . 0.0 109.192 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.68 93.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -63.77 -40.16 96.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.083 -1.011 . . . . 0.0 109.725 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -61.41 -41.03 96.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.945 -1.097 . . . . 0.0 110.096 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.99 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.76 -40.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.561 -0.712 . . . . 0.0 109.892 -179.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 m -70.37 -38.44 74.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.064 -1.022 . . . . 0.0 109.414 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.4 110.68 8.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.17 -0.956 . . . . 0.0 108.881 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.584 0.706 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -59.67 -39.63 85.1 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.01 -1.056 . . . . 0.0 109.479 -178.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.84 -47.47 21.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.097 -1.002 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 . . . . . 0 N--CA 1.501 2.088 0 O-C-N 121.322 -0.861 . . . . 0.0 110.863 -178.02 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.631 0.729 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.96 -42.99 99.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.456 -0.777 . . . . 0.0 111.131 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.28 -41.44 98.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -0.953 . . . . 0.0 109.977 -179.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -39.92 97.92 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.53 -40.45 86.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.461 -1.023 . . . . 0.0 110.662 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.905 -1.122 . . . . 0.0 110.091 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -68.08 -40.2 82.74 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.755 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -29.4 65.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.352 -0.842 . . . . 0.0 109.916 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.14 140.28 57.93 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.465 -0.772 . . . . 0.0 109.352 -178.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -166.0 179.98 5.52 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 13' ' ' GLU . 88.5 tt0 -60.95 152.6 27.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.77 -1.206 . . . . 0.0 109.849 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 62.8 t60 -64.88 72.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.535 -0.728 . . . . 0.0 109.58 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 11' ' ' GLU . 60.6 mt-10 -85.86 -165.03 1.12 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.57 0.7 . . . . 0.0 109.482 179.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.96 -29.6 66.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.338 0.589 . . . . 0.0 109.48 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -56.85 -33.35 66.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.257 -0.902 . . . . 0.0 109.952 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -59.4 -40.61 87.15 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.91 -1.119 . . . . 0.0 108.748 179.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 57.8 p -62.08 -48.13 81.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.031 -1.043 . . . . 0.0 109.143 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.62 83.73 4.94 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.346 -0.846 . . . . 0.0 108.756 178.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.17 -28.63 65.48 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.292 -0.88 . . . . 0.0 109.776 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.19 -40.21 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.281 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.89 97.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.67 -1.269 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.94 -42.41 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.243 -0.91 . . . . 0.0 109.866 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.76 96.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.02 -1.05 . . . . 0.0 109.909 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -67.72 -40.47 84.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 109.943 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.57 -41.13 93.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.318 -0.863 . . . . 0.0 110.091 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -98.66 0.94 45.72 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.243 -0.91 . . . . 0.0 109.674 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 55.89 40.8 30.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.428 -0.795 . . . . 0.0 110.695 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -109.84 150.49 41.41 Favored Pre-proline 0 N--CA 1.501 2.101 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.0 Cg_endo -68.58 149.24 73.9 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.597 1.531 . . . . 0.0 111.178 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -43.33 -20.06 0.19 Allowed 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 121.756 1.637 . . . . 0.0 112.176 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.2 t -59.92 -51.54 71.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.199 -0.938 . . . . 0.0 110.901 -178.222 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.97 -40.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.925 -1.11 . . . . 0.0 109.198 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.12 91.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.189 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -63.08 -40.03 96.45 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.991 -1.068 . . . . 0.0 109.671 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.57 -41.2 97.05 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.943 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -40.69 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.81 -39.87 86.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.88 67.7 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.595 -0.691 . . . . 0.0 109.996 -178.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.0 m -71.0 -37.75 72.67 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 109.283 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -74.21 110.29 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.289 -0.882 . . . . 0.0 109.05 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -39.44 85.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.663 -0.648 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -59.85 -38.91 83.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.105 -0.997 . . . . 0.0 109.545 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.82 -47.07 19.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.727 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 N--CA 1.501 2.111 0 O-C-N 121.29 -0.881 . . . . 0.0 110.679 -177.688 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.576 0.703 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.642 -0.661 . . . . 0.0 110.222 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.07 -40.36 94.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 0.0 110.551 -179.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.02 98.7 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.653 -1.779 . . . . 0.0 108.653 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.92 -40.05 82.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.556 -0.967 . . . . 0.0 109.998 -179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.0 -50.09 75.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.38 -40.04 81.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.021 -1.05 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -23.91 63.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.638 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.96 140.11 58.35 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.934 -1.104 . . . . 0.0 109.769 -179.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.92 158.38 8.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.51 -0.744 . . . . 0.0 109.399 -179.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 43.0 tt0 -46.48 157.13 0.15 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 109.867 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.1 t60 -66.89 67.67 0.06 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 68.7 mm-40 -82.34 -165.32 0.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 0.0 109.968 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -69.99 -28.84 65.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -59.89 -33.71 72.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.927 . . . . 0.0 109.736 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.88 -40.58 89.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.844 -1.16 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.0 p -61.09 -43.04 99.49 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.889 -1.132 . . . . 0.0 108.356 179.133 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.63 81.52 3.88 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.366 -0.834 . . . . 0.0 109.296 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -69.94 -27.6 64.89 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.197 -0.94 . . . . 0.0 109.802 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.92 -40.11 91.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 109.784 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.09 99.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 109.788 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -62.15 -41.03 97.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.836 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.05 96.25 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.141 -0.974 . . . . 0.0 108.937 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -69.06 -40.17 78.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 110.055 -179.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -100.29 2.6 42.79 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.346 -0.846 . . . . 0.0 110.507 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.21 46.52 26.35 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -118.51 151.91 50.34 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.185 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.91 150.21 60.83 Favored 'Trans proline' 0 N--CA 1.49 1.312 0 C-N-CA 121.407 1.405 . . . . 0.0 111.083 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -42.44 -18.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.877 1.718 . . . . 0.0 111.842 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.3 t -60.12 -51.58 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.06 -1.025 . . . . 0.0 110.933 -178.321 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.03 -40.21 80.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.93 -1.106 . . . . 0.0 109.096 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.82 97.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.443 -0.786 . . . . 0.0 109.823 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -61.53 -40.08 93.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.021 -1.049 . . . . 0.0 110.275 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.11 -41.22 92.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.896 -1.128 . . . . 0.0 109.668 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.41 -40.15 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.021 -1.049 . . . . 0.0 108.548 179.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.06 -41.34 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.488 -0.757 . . . . 0.0 109.199 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.1 -31.52 69.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.336 -0.853 . . . . 0.0 109.466 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -73.18 -37.32 66.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.3 t -74.02 111.39 9.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.102 -0.999 . . . . 0.0 108.831 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.21 -39.98 88.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.97 -40.03 87.69 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 110.409 -179.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.57 -33.35 60.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.839 -1.163 . . . . 0.0 110.438 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.18 -0.95 . . . . 0.0 110.948 -177.726 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.487 0.661 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.55 -40.2 93.83 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.637 -0.665 . . . . 0.0 110.327 -179.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.04 -40.22 94.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 110.523 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.0 98.68 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -40.11 82.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.726 -0.867 . . . . 0.0 110.101 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.02 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.211 -0.93 . . . . 0.0 110.442 -179.061 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -68.25 -39.99 82.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.923 -1.111 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.35 63.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.58 140.01 58.18 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.088 -1.008 . . . . 0.0 109.749 -179.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.88 158.7 9.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.523 -0.736 . . . . 0.0 109.25 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 42.6 tt0 -46.85 157.49 0.15 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.826 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.1 t60 -67.22 67.56 0.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 109.741 -179.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 67.7 mm-40 -82.33 -165.16 0.95 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.308 -0.87 . . . . 0.0 109.88 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.02 -28.72 65.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.388 -0.82 . . . . 0.0 109.629 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -59.79 -33.96 72.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.524 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.03 -40.4 89.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.636 -1.29 . . . . 0.0 108.787 -179.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -61.15 -43.2 99.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.939 -1.101 . . . . 0.0 108.475 179.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -94.23 81.84 4.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.212 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.206 -0.934 . . . . 0.0 109.88 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -60.76 -40.09 91.19 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.48 -41.01 98.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.915 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.17 96.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.069 -1.02 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -68.93 -40.12 79.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.186 -0.946 . . . . 0.0 109.738 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -61.61 -40.0 93.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.266 -0.896 . . . . 0.0 109.94 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.11 2.31 43.03 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.36 -0.838 . . . . 0.0 110.53 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 53.49 46.32 26.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 110.362 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.4 151.74 49.95 Favored Pre-proline 0 N--CA 1.504 2.274 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.7 Cg_endo -70.73 150.01 61.59 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.482 1.455 . . . . 0.0 111.179 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -42.14 -18.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.836 1.691 . . . . 0.0 111.753 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.0 t -59.68 -51.74 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.045 -1.035 . . . . 0.0 111.087 -178.279 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.29 -39.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.076 -1.015 . . . . 0.0 109.183 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.71 97.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.425 -0.797 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -61.84 -39.82 93.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.03 -41.57 92.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.557 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.18 -40.06 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.959 -1.088 . . . . 0.0 108.666 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.1 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.456 -0.777 . . . . 0.0 109.305 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.63 69.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -73.17 -37.47 66.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.451 -0.781 . . . . 0.0 109.516 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -73.96 111.19 8.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.176 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.09 -39.94 87.87 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 110.171 -179.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.82 -33.23 60.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.879 -1.138 . . . . 0.0 110.487 -179.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 . . . . . 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 110.947 -177.722 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.455 0.645 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.81 -40.43 92.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.0 110.089 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.02 -40.3 96.03 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.311 -179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -33.31 73.06 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.48 -39.22 80.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.613 -0.934 . . . . 0.0 110.093 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.17 -46.87 88.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.094 -1.004 . . . . 0.0 109.443 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -68.95 -40.51 78.89 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.754 -0.779 . . . . 0.0 110.118 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.34 68.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.875 . . . . 0.0 110.333 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -61.27 140.13 58.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 110.35 -178.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.39 172.79 4.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 13' ' ' GLU . 78.4 mm-40 -54.99 162.25 1.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 -179.297 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -65.32 72.57 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.475 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.8 tt0 -79.21 169.96 17.35 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -27.62 69.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 108.79 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.64 -26.17 61.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.201 -0.937 . . . . 0.0 109.09 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -60.21 -39.94 88.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.034 -1.041 . . . . 0.0 108.556 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.38 -41.39 97.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.961 -1.087 . . . . 0.0 109.062 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -92.73 83.56 4.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 108.961 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.1 p-90 -70.31 -25.95 63.56 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.471 -0.768 . . . . 0.0 109.495 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -61.14 -39.22 89.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.828 . . . . 0.0 109.804 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.49 97.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.433 ' SD ' HD12 ' A' ' 36' ' ' ILE . 37.4 ttm -60.37 -47.87 84.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.225 -0.922 . . . . 0.0 109.653 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.56 -40.17 96.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.147 -0.971 . . . . 0.0 109.41 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 t -68.91 -40.25 79.23 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.413 -0.804 . . . . 0.0 109.965 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.58 -40.14 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.16 -0.963 . . . . 0.0 109.935 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.41 -0.27 26.22 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.212 -0.93 . . . . 0.0 110.46 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.85 41.61 32.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.248 -0.907 . . . . 0.0 110.453 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 mt -107.18 136.43 19.51 Favored Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.125 -0.984 . . . . 0.0 108.678 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_exo -44.91 142.65 5.06 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.488 1.459 . . . . 0.0 111.393 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.83 -17.35 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.864 1.709 . . . . 0.0 112.292 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' PRO . 96.0 t -59.63 -50.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.877 -178.457 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.69 -45.63 91.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.896 -1.127 . . . . 0.0 108.886 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.91 -48.23 82.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.907 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.38 -39.28 92.67 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.998 -1.064 . . . . 0.0 110.418 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -60.82 -40.27 92.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.274 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.3 mt -64.76 -40.24 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.933 -1.104 . . . . 0.0 108.852 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 33' ' ' ALA . 67.3 t -62.73 -40.31 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.354 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -29.73 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 110.067 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -73.66 -34.04 64.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.131 -0.98 . . . . 0.0 109.954 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.79 116.53 15.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.002 -1.061 . . . . 0.0 108.316 179.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.64 -39.84 89.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.314 -0.866 . . . . 0.0 109.947 -179.021 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.98 -39.48 89.81 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 110.007 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.0 m -76.21 -38.79 55.99 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.987 -1.071 . . . . 0.0 110.475 -179.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.301 -1.538 0 O-C-N 121.425 -0.797 . . . . 0.0 109.761 -177.77 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.315 0.579 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.45 -40.55 94.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.81 -40.23 96.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.396 -0.815 . . . . 0.0 110.396 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 -33.48 68.17 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -67.8 -39.63 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.487 -1.007 . . . . 0.0 109.696 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.55 -46.98 87.29 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.576 -179.132 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -68.89 -40.07 79.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.376 -0.827 . . . . 0.0 109.977 -179.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.85 67.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.294 -0.879 . . . . 0.0 110.341 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -61.84 140.18 58.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.0 110.584 -178.385 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -172.82 174.4 3.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' B' ' 13' ' ' GLU . 77.4 mm-40 -56.95 162.1 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.0 109.802 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.94 72.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.119 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 11' ' ' GLU . 62.5 tt0 -79.25 171.01 15.78 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.08 -27.69 69.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 108.661 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -56.79 -26.92 58.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.152 -0.968 . . . . 0.0 108.991 179.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -59.87 -40.27 88.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.864 -1.147 . . . . 0.0 108.722 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -61.52 -40.39 94.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.986 -1.071 . . . . 0.0 109.296 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -93.26 83.33 4.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.27 -0.894 . . . . 0.0 109.28 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -70.05 -26.18 63.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.024 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -60.96 -39.9 91.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.349 -0.844 . . . . 0.0 109.682 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.71 94.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.245 -0.909 . . . . 0.0 109.264 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.414 ' SD ' HD12 ' B' ' 36' ' ' ILE . 38.6 ttm -60.22 -48.96 79.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 109.651 179.523 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -61.59 -40.01 93.26 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.317 -0.865 . . . . 0.0 109.414 -179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -69.09 -40.05 78.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.868 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.85 -40.83 94.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.118 -0.989 . . . . 0.0 110.013 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -105.02 -0.5 26.74 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.309 -0.869 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.06 40.86 32.06 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.21 -0.931 . . . . 0.0 110.72 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.28 135.92 19.41 Favored Pre-proline 0 N--CA 1.504 2.247 0 O-C-N 121.131 -0.98 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' B' ' 31' ' ' VAL . 86.3 Cg_exo -44.44 142.77 4.26 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.446 1.431 . . . . 0.0 111.536 179.331 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -42.13 -17.24 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.926 1.751 . . . . 0.0 112.054 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.0 t -59.79 -50.52 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 110.661 -178.322 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.77 -45.74 90.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.008 -1.057 . . . . 0.0 109.041 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.84 -48.52 81.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 110.039 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.79 -39.69 92.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 110.199 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.56 -39.96 89.9 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.797 -179.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.414 HD12 ' SD ' ' B' ' 22' ' ' MET . 82.8 mt -65.46 -39.98 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.862 -1.149 . . . . 0.0 108.807 179.677 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 33' ' ' ALA . 80.9 t -62.82 -39.94 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.9 67.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.507 -0.746 . . . . 0.0 110.266 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -74.82 -33.53 62.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.071 -1.018 . . . . 0.0 109.826 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 t -74.04 116.71 14.98 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.015 -1.053 . . . . 0.0 108.454 179.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 0.0 109.86 -179.104 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.07 -39.67 93.19 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.467 -0.77 . . . . 0.0 110.254 -178.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.6 -39.03 58.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.868 -1.145 . . . . 0.0 110.27 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 . . . . . 0 C--N 1.302 -1.493 0 O-C-N 121.534 -0.729 . . . . 0.0 110.113 -177.832 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.632 0.73 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.6 -40.05 90.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.537 -0.727 . . . . 0.0 109.932 -178.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.33 -40.6 97.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.142 -0.974 . . . . 0.0 110.175 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -36.58 92.44 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.43 -40.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.429 -1.042 . . . . 0.0 110.398 -179.421 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -52.53 64.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.025 -1.047 . . . . 0.0 109.922 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -69.66 -39.99 76.71 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.515 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.42 76.33 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.693 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.89 134.54 56.38 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -148.34 -164.99 2.15 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.915 -1.116 . . . . 0.0 109.433 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' GLU . 37.4 tt0 -72.27 148.43 45.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.176 -0.953 . . . . 0.0 109.161 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.7 t60 -67.45 69.99 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.302 -0.874 . . . . 0.0 109.169 -179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 tp10 -100.95 -151.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.514 -0.742 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' GLU . 44.1 mtpt -70.41 -28.82 65.37 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.572 -0.705 . . . . 0.0 109.862 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.57 -39.77 85.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -59.84 -40.22 87.78 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.851 -1.156 . . . . 0.0 108.475 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -61.69 -40.9 96.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.945 -1.097 . . . . 0.0 109.558 179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.89 85.48 3.79 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -70.06 -26.49 64.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.51 -39.92 89.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.127 -0.983 . . . . 0.0 109.154 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.52 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.062 -1.024 . . . . 0.0 109.005 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.7 ttm -60.0 -48.81 80.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.433 -0.792 . . . . 0.0 109.762 -179.211 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -61.33 -45.47 94.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.324 -0.86 . . . . 0.0 109.447 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.203 -0.936 . . . . 0.0 109.86 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -62.36 -42.33 99.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.637 -0.664 . . . . 0.0 110.669 -178.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -103.5 2.24 33.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.501 -0.749 . . . . 0.0 110.137 -178.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.7 m120 56.13 42.18 28.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.531 -0.731 . . . . 0.0 110.538 179.168 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 69.9 mt -111.9 150.23 42.03 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.7 Cg_endo -66.42 148.16 83.67 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 121.56 1.507 . . . . 0.0 111.269 -179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.01 -20.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.43 2.087 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.7 t -59.69 -50.22 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 110.449 -178.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.49 -42.13 83.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 120.896 -1.128 . . . . 0.0 109.11 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.39 74.44 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.561 -0.855 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.8 -39.83 95.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 110.375 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.81 -41.59 95.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.835 -1.166 . . . . 0.0 109.585 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.69 -40.25 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.015 -1.053 . . . . 0.0 108.534 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.19 -39.67 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.642 -0.661 . . . . 0.0 109.265 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.68 67.92 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.31 -0.869 . . . . 0.0 109.642 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.7 m -69.93 -37.29 75.84 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.72 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.8 t -73.58 110.97 8.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.958 . . . . 0.0 109.563 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.93 -40.26 88.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.29 -39.4 86.77 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.106 -0.996 . . . . 0.0 109.755 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.7 m -78.41 -21.25 49.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.237 -0.915 . . . . 0.0 110.077 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.12 -0.987 . . . . 0.0 111.297 -177.947 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.09 -40.31 93.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.626 -0.671 . . . . 0.0 109.582 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.39 -41.77 98.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.301 -0.875 . . . . 0.0 110.439 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.62 92.25 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.64 -41.01 87.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.421 -1.047 . . . . 0.0 110.34 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.32 -52.02 67.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.966 -1.084 . . . . 0.0 110.28 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.44 -40.63 77.1 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.336 -0.852 . . . . 0.0 109.12 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.29 78.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.473 -0.767 . . . . 0.0 110.299 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.05 132.6 51.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.813 -1.179 . . . . 0.0 109.039 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -145.37 -164.9 2.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.118 -0.989 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.4 tt0 -72.91 146.94 45.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.979 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 65.0 t60 -66.25 70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 109.041 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 11' ' ' GLU . 3.9 tp10 -101.91 -151.63 0.42 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 49.8 mtpt -70.38 -28.81 65.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.92 -39.41 85.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 0.0 110.14 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -59.75 -40.03 86.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.782 -1.199 . . . . 0.0 108.683 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.0 p -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.978 -1.076 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -95.21 85.49 4.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.043 . . . . 0.0 109.696 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -70.04 -27.1 64.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.266 -0.897 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.06 -40.38 89.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.852 -1.155 . . . . 0.0 109.189 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.17 87.23 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.117 -0.99 . . . . 0.0 109.192 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.2 -49.83 76.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 -179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.14 -44.58 94.85 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -40.34 95.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.358 -0.839 . . . . 0.0 109.954 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 25' ' ' ASP . 56.1 t0 -62.54 -40.51 97.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 110.639 -178.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -105.1 2.67 29.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.395 -0.816 . . . . 0.0 109.844 -179.028 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.3 m120 55.29 42.62 30.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 0.0 110.379 178.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 70.1 mt -112.34 150.91 43.28 Favored Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.405 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.1 Cg_endo -66.34 147.8 83.51 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.763 1.642 . . . . 0.0 111.253 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.02 -20.58 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.284 1.99 . . . . 0.0 112.638 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' B' ' 29' ' ' PRO . 71.6 t -59.41 -51.43 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.079 -1.013 . . . . 0.0 110.37 -178.273 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.46 -42.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.63 76.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.393 -0.817 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.04 -1.038 . . . . 0.0 109.815 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.95 -40.89 95.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.005 -1.059 . . . . 0.0 109.692 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 108.676 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.38 -39.21 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.419 -0.801 . . . . 0.0 109.393 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.51 68.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.3 m -70.54 -37.85 74.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.374 -0.829 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.64 111.15 7.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.005 -1.059 . . . . 0.0 109.219 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.22 -40.36 89.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.387 -0.82 . . . . 0.0 110.549 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.46 -40.33 86.55 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 109.86 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 86.1 m -78.42 -20.07 51.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 0.0 110.206 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 . . . . . 0 N--CA 1.498 1.97 0 O-C-N 121.099 -1.001 . . . . 0.0 110.727 -178.016 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.175 0.512 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.27 -40.27 93.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.343 -0.848 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.15 -45.36 88.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 110.019 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.1 -38.73 94.79 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.75 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.433 -1.04 . . . . 0.0 110.28 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.11 -48.93 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.948 -1.095 . . . . 0.0 109.857 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.68 -40.06 80.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.114 -0.991 . . . . 0.0 109.125 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -30.22 67.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.664 -0.648 . . . . 0.0 110.261 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -62.55 135.37 57.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 109.573 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -159.4 162.73 35.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.646 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 39.8 tt0 -46.53 156.45 0.18 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.262 -0.899 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.3 t60 -65.19 66.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 56.3 tt0 -80.46 176.35 9.86 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.691 -0.631 . . . . 0.0 109.82 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.442 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 97.2 mttt -62.64 -26.72 68.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 0.0 109.189 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -58.09 -30.33 66.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -59.93 -40.77 90.06 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.641 -1.287 . . . . 0.0 109.236 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -61.58 -41.24 97.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.984 -1.072 . . . . 0.0 108.582 179.397 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -93.0 81.19 4.57 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -69.93 -25.69 63.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 109.715 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -60.07 -41.02 91.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.816 -178.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.32 99.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.127 -0.983 . . . . 0.0 109.335 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -64.77 -41.25 96.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.73 -40.18 94.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.271 -0.893 . . . . 0.0 109.147 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 t -69.07 -39.95 78.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.533 -0.73 . . . . 0.0 109.943 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.74 -39.93 93.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.505 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -100.1 0.4 40.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.0 109.888 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.8 m120 52.32 46.96 25.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.17 -0.956 . . . . 0.0 110.259 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.75 151.37 44.6 Favored Pre-proline 0 N--CA 1.499 1.997 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.9 Cg_endo -70.2 149.54 64.25 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 121.524 1.483 . . . . 0.0 110.835 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.74 -20.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.84 1.693 . . . . 0.0 112.364 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' PRO . 97.7 t -56.48 -58.63 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.838 -1.164 . . . . 0.0 110.634 -178.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.64 -42.16 94.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.144 -0.973 . . . . 0.0 109.173 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.61 95.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.833 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.18 -40.03 95.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 109.638 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 2.8 tm-20 -60.94 -40.53 93.6 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.2 -39.98 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.042 . . . . 0.0 109.122 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.04 -39.89 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.63 69.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.578 -0.701 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.415 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 75.6 m -70.35 -39.54 74.59 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.215 -0.928 . . . . 0.0 109.156 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -76.11 109.45 9.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.911 . . . . 0.0 109.376 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.68 -39.88 90.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.426 -0.796 . . . . 0.0 111.089 -179.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.43 -39.87 84.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.983 -1.073 . . . . 0.0 109.274 -178.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 72.6 m -76.92 -34.52 57.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 0.0 110.121 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.162 -0.961 . . . . 0.0 111.694 -177.681 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.3 0.572 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.17 -40.59 94.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 0.0 110.236 -179.404 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.05 -45.44 88.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.149 -0.97 . . . . 0.0 110.005 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -38.94 94.84 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.84 -40.18 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.452 -1.028 . . . . 0.0 110.49 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.03 -49.23 78.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.027 -1.046 . . . . 0.0 109.87 -179.044 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.37 -40.16 81.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.7 -30.09 67.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.671 -0.643 . . . . 0.0 110.434 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -62.56 135.39 57.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -159.25 163.06 36.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.0 109.669 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.7 tt0 -47.18 156.38 0.24 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.114 -0.991 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.2 t60 -65.01 66.65 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.203 -0.936 . . . . 0.0 109.62 -179.231 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.7 tt0 -80.58 176.44 9.79 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.343 0.592 . . . . 0.0 109.781 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 97.7 mttt -62.79 -26.65 68.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.849 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -58.31 -30.11 66.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 0.0 109.981 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -59.99 -40.82 90.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.636 -1.29 . . . . 0.0 109.195 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.54 -41.16 96.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.869 -1.144 . . . . 0.0 108.658 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -92.97 80.75 4.58 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.77 -25.66 63.91 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.616 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -60.03 -40.8 90.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.162 -0.961 . . . . 0.0 110.021 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.272 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 54.4 ttp -64.9 -41.1 95.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 0.0 109.743 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.166 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -69.47 -40.02 77.37 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.49 -40.09 93.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.0 109.569 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -99.93 0.33 40.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.295 -0.878 . . . . 0.0 109.874 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 52.35 46.96 25.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.249 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -113.75 151.32 44.56 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.8 Cg_endo -70.18 149.55 64.37 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 121.571 1.514 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -40.6 -20.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.964 1.776 . . . . 0.0 112.413 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 29' ' ' PRO . 89.5 t -56.24 -58.75 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 110.726 -178.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.58 -42.12 94.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.168 -0.958 . . . . 0.0 109.165 -179.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.61 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.288 -0.883 . . . . 0.0 109.923 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.23 -39.94 95.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.612 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 2.8 tm-20 -61.19 -40.32 93.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.136 -0.978 . . . . 0.0 110.191 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.17 -40.15 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.017 -1.052 . . . . 0.0 109.004 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.0 -39.85 86.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.55 -30.65 69.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.576 -0.702 . . . . 0.0 109.521 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 74.7 m -70.32 -39.49 74.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -0.955 . . . . 0.0 109.219 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.28 109.48 10.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.267 -0.896 . . . . 0.0 109.402 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.64 -39.91 90.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.776 . . . . 0.0 110.976 -179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.47 -39.93 85.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.932 -1.105 . . . . 0.0 109.317 -178.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 70.9 m -76.74 -34.46 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 110.21 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 . . . . . 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 111.823 -177.724 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.29 0.566 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.26 -40.47 90.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.189 -0.944 . . . . 0.0 110.8 -179.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.72 -43.5 97.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.108 -0.995 . . . . 0.0 110.357 -178.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -33.74 88.08 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.32 -39.77 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.469 -1.018 . . . . 0.0 110.321 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -60.54 -50.2 74.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.711 -1.243 . . . . 0.0 109.879 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.2 -40.82 94.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.637 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.07 68.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.57 -0.706 . . . . 0.0 110.354 -179.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.14 138.8 58.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.243 -0.911 . . . . 0.0 110.489 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.93 -178.6 4.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.439 -0.788 . . . . 0.0 109.741 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 64.8 mm-40 -61.72 150.68 36.03 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.342 -0.849 . . . . 0.0 108.855 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.1 t60 -65.96 77.64 0.08 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.9 mm-40 -96.02 -164.8 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.647 0.737 . . . . 0.0 109.838 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.38 -27.59 65.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.691 -0.631 . . . . 0.0 109.847 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -59.77 -32.46 70.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 109.609 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.34 -39.7 88.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.953 -1.092 . . . . 0.0 109.07 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 p -61.8 -42.15 98.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.591 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -93.44 89.51 6.34 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.139 -0.975 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -70.53 -28.35 64.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.065 -1.022 . . . . 0.0 109.862 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.178 -0.951 . . . . 0.0 109.785 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.07 93.71 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.228 -0.92 . . . . 0.0 109.774 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 110.191 -179.256 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.24 -42.4 99.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.128 -0.983 . . . . 0.0 109.856 -179.332 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -69.09 -40.06 78.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.402 -0.811 . . . . 0.0 109.949 -179.672 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.34 -40.54 91.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.897 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -106.11 1.45 26.3 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.698 -0.626 . . . . 0.0 110.245 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.1 m120 54.21 44.92 28.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.213 -0.93 . . . . 0.0 110.539 179.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 65.5 mt -113.49 150.88 43.91 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.8 Cg_endo -67.55 149.38 79.69 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.748 1.632 . . . . 0.0 111.482 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.81 -21.15 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.271 1.981 . . . . 0.0 112.82 -179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.4 t -59.06 -54.22 37.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 120.971 -1.081 . . . . 0.0 110.65 -178.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.19 -42.05 90.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.791 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.96 81.56 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.388 -0.82 . . . . 0.0 109.938 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.986 -1.071 . . . . 0.0 110.007 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.1 -41.04 91.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.89 -1.131 . . . . 0.0 109.19 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.79 -40.53 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.801 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.08 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.53 -30.03 68.74 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.733 -0.605 . . . . 0.0 109.46 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -71.31 -39.09 71.65 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.321 -0.862 . . . . 0.0 109.165 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.5 t -73.71 111.68 9.08 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.284 -0.885 . . . . 0.0 109.01 178.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.81 -40.19 91.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 110.274 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.73 -39.92 86.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.425 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 62.1 m -76.49 -32.35 58.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.888 -1.132 . . . . 0.0 109.819 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.342 -0.848 . . . . 0.0 110.486 -178.333 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.421 0.629 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.43 -41.0 96.5 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.472 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.07 -42.79 95.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 110.753 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -34.02 88.79 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.24 -40.45 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -1.083 . . . . 0.0 110.19 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.39 -49.52 77.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.591 -1.318 . . . . 0.0 109.895 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.57 -40.51 92.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 0.0 109.854 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.71 66.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.656 -0.653 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.56 138.12 57.84 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.218 -0.926 . . . . 0.0 109.97 -178.657 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.8 -177.03 4.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.0 109.692 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 13' ' ' GLU . 67.3 mm-40 -62.33 150.07 40.46 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.288 -0.882 . . . . 0.0 109.325 -179.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 71.6 t60 -65.83 77.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.3 mm-40 -97.22 -165.42 1.26 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.513 -0.742 . . . . 0.0 109.656 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.08 -27.86 65.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.593 -0.692 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -58.33 -33.83 69.94 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.0 109.168 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -59.31 -40.81 87.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.675 -1.266 . . . . 0.0 108.589 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -59.87 -43.98 94.41 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.911 -1.118 . . . . 0.0 109.884 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.31 92.07 7.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.938 -1.101 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -72.01 -26.81 62.37 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 110.13 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.07 -39.54 90.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.11 -0.994 . . . . 0.0 109.435 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.58 96.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.105 -0.997 . . . . 0.0 109.707 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.6 ttm -62.62 -43.66 98.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.882 . . . . 0.0 110.042 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.59 -42.02 99.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.983 . . . . 0.0 109.732 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -68.92 -39.7 79.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.591 -0.693 . . . . 0.0 110.01 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.45 -40.97 96.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.139 -0.976 . . . . 0.0 109.684 -178.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.03 2.85 29.93 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.581 -0.699 . . . . 0.0 110.177 -179.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.2 m120 52.89 46.2 27.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.149 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 63.1 mt -115.81 150.23 44.54 Favored Pre-proline 0 N--CA 1.502 2.147 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.042 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.6 Cg_endo -66.8 146.73 79.34 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.746 1.631 . . . . 0.0 111.806 -179.574 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -39.74 -21.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.252 1.968 . . . . 0.0 112.356 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.8 t -58.07 -55.6 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.164 -0.96 . . . . 0.0 110.076 -178.411 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.45 -41.6 91.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.021 -1.049 . . . . 0.0 109.221 -179.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.41 86.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.046 -1.034 . . . . 0.0 109.758 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.5 -39.33 91.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.888 -1.132 . . . . 0.0 110.106 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.71 -40.88 93.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.114 . . . . 0.0 108.988 -179.437 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.42 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.198 -0.939 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.54 -40.21 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.367 -0.833 . . . . 0.0 108.757 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.23 69.0 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.722 -0.612 . . . . 0.0 109.523 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -71.73 -39.68 69.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.455 -0.778 . . . . 0.0 109.36 -179.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.66 111.24 8.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.108 -0.995 . . . . 0.0 108.445 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -60.0 -39.82 87.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.343 -0.848 . . . . 0.0 110.495 -179.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.07 -39.63 86.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 110.303 -178.044 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.53 -32.53 58.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.025 -1.047 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 . . . . . 0 N--CA 1.487 1.425 0 O-C-N 121.518 -0.739 . . . . 0.0 110.439 -178.337 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.21 -41.54 98.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.42 -0.8 . . . . 0.0 110.593 -179.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.37 -41.83 96.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.114 -0.991 . . . . 0.0 110.082 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -36.56 93.58 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -68.01 -40.12 82.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.586 -0.949 . . . . 0.0 110.299 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -59.79 -45.89 90.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.052 -1.03 . . . . 0.0 109.699 -179.155 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.72 -40.88 75.96 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.054 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.479 -0.763 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.27 138.84 58.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.995 -1.066 . . . . 0.0 109.693 -178.26 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -165.0 -175.09 3.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.011 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -62.69 159.73 15.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.11 -0.994 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.482 ' ND1' ' SG ' ' A' ' 43' ' ' CYS . 74.3 t60 -71.74 86.85 0.95 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.1 -179.354 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -101.13 -166.64 1.33 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.397 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -70.26 -25.81 63.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.377 -0.827 . . . . 0.0 108.849 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.96 -34.41 73.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.643 -0.661 . . . . 0.0 109.866 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -58.82 -39.12 80.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.885 -1.135 . . . . 0.0 108.985 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -60.37 -43.79 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.858 -1.151 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -94.49 90.84 6.35 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.022 -1.049 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -71.4 -22.82 61.81 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.697 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -63.64 -39.82 95.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.164 -178.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.11 94.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 ttm -62.46 -45.83 91.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.786 -179.617 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.47 -41.86 98.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 109.587 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -65.61 -40.37 92.54 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.138 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -64.24 -40.12 95.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 110.881 -179.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.29 1.43 38.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.25 -0.906 . . . . 0.0 110.319 -179.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.48 49.06 20.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 53.4 mt -117.68 152.58 49.97 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 150.91 68.73 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.04 1.827 . . . . 0.0 111.488 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -44.25 -20.65 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.88 1.72 . . . . 0.0 112.402 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.06 -50.19 81.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.67 -44.42 82.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 120.773 -1.204 . . . . 0.0 109.314 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.42 96.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.258 -0.901 . . . . 0.0 109.948 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -65.29 -40.21 93.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.953 -1.092 . . . . 0.0 109.804 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.16 -41.46 96.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.899 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.96 -40.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.996 -1.065 . . . . 0.0 109.563 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.84 -39.83 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.202 -0.936 . . . . 0.0 108.88 179.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -27.8 67.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.915 -179.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -72.6 -36.96 68.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.082 -1.011 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -72.81 114.9 11.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.0 109.135 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.32 -40.09 92.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.297 -0.877 . . . . 0.0 110.668 -179.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.54 -40.33 86.86 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 110.011 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.482 ' SG ' ' ND1' ' A' ' 12' ' ' HIS . 33.9 m -78.07 -34.17 50.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.09 -1.006 . . . . 0.0 110.431 -179.398 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 N--CA 1.496 1.873 0 O-C-N 121.363 -0.835 . . . . 0.0 111.366 -178.042 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.09 -40.54 94.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.5 -0.75 . . . . 0.0 110.605 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -66.08 -41.31 90.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 -179.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -35.45 92.02 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.3 -39.96 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.462 -1.023 . . . . 0.0 110.264 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -60.07 -45.41 92.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.181 -0.949 . . . . 0.0 109.75 -179.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -69.83 -40.82 75.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.806 -1.184 . . . . 0.0 108.928 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.62 -37.02 73.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.447 -0.783 . . . . 0.0 110.774 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.86 139.44 58.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.55 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -166.01 -175.07 3.22 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.39 -0.819 . . . . 0.0 108.85 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 158.16 23.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.18 -0.95 . . . . 0.0 109.778 -179.706 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.53 ' ND1' ' SG ' ' B' ' 43' ' ' CYS . 72.8 t60 -71.09 84.92 0.72 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.269 -0.894 . . . . 0.0 110.317 -178.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -99.66 -165.57 1.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.457 -0.777 . . . . 0.0 109.511 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -70.84 -26.38 63.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.367 -0.833 . . . . 0.0 109.373 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -58.99 -33.58 70.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.261 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -59.65 -38.28 81.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 108.993 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.1 p -61.4 -43.46 98.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.954 -1.091 . . . . 0.0 109.534 179.59 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -94.48 88.56 5.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.442 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -69.91 -23.99 63.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.994 -1.066 . . . . 0.0 109.773 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -62.35 -40.14 95.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.995 -1.066 . . . . 0.0 110.082 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.24 91.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.962 -1.086 . . . . 0.0 109.528 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.7 ttm -63.58 -45.2 91.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.659 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.19 -42.47 99.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.523 -179.603 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.2 m -65.6 -40.33 92.55 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.528 -0.732 . . . . 0.0 110.458 -179.197 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 110.495 -178.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -101.18 0.72 38.12 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.334 -0.854 . . . . 0.0 110.423 -178.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.9 m120 54.07 49.65 18.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.259 -0.901 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.7 152.16 50.97 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.64 151.06 75.12 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.865 1.71 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -44.81 -20.08 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.794 1.662 . . . . 0.0 112.392 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -59.32 -50.54 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.763 -1.211 . . . . 0.0 110.636 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.78 -44.47 85.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.449 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.75 96.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.83 -40.14 95.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 109.654 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.78 -41.09 97.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.095 -1.003 . . . . 0.0 110.06 -179.582 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.29 -40.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.14 -0.975 . . . . 0.0 109.389 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.12 -39.8 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 108.927 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -26.56 65.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.496 -0.753 . . . . 0.0 109.738 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -74.33 -34.63 63.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 0.0 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.54 113.73 13.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.92 -1.113 . . . . 0.0 108.95 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.99 -39.7 90.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.243 -0.911 . . . . 0.0 110.528 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.033 -1.042 . . . . 0.0 109.748 -179.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.53 ' SG ' ' ND1' ' B' ' 12' ' ' HIS . 34.6 m -77.74 -35.4 51.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 110.181 -179.243 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 . . . . . 0 N--CA 1.498 1.926 0 O-C-N 121.432 -0.793 . . . . 0.0 111.497 -178.151 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 32.5 m-85 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.499 0.666 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.98 -40.33 93.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.579 -0.701 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.45 -41.14 96.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.755 -178.561 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -33.48 86.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.59 -40.43 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.247 -1.149 . . . . 0.0 110.48 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.76 -47.4 85.82 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.262 -178.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.53 -40.8 76.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 109.663 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -28.46 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 -179.395 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.24 138.69 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.369 -0.832 . . . . 0.0 109.588 -178.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -164.66 165.67 20.73 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 108.835 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' GLU . 56.0 mp0 -58.49 161.97 4.12 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.127 -0.983 . . . . 0.0 109.168 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -69.47 70.46 0.28 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.192 -0.942 . . . . 0.0 109.219 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.1 mm-40 -88.98 -161.01 0.72 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.583 0.706 . . . . 0.0 109.673 -179.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -70.02 -28.42 65.47 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.561 -0.712 . . . . 0.0 109.398 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -59.95 -36.42 77.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.831 . . . . 0.0 109.869 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -60.11 -40.19 88.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.91 -1.119 . . . . 0.0 109.919 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -60.94 -41.64 96.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.585 -1.322 . . . . 0.0 109.533 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -95.45 87.58 4.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.124 -0.985 . . . . 0.0 109.007 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 p-90 -70.12 -28.45 65.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -60.92 -39.45 89.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.935 -1.103 . . . . 0.0 109.492 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.36 90.99 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 109.531 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.0 ttm -59.76 -46.24 89.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.867 . . . . 0.0 110.168 -179.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.19 -41.34 99.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.151 -0.968 . . . . 0.0 109.808 -179.509 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -69.19 -39.87 78.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 109.808 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.58 -40.62 92.41 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.391 -0.818 . . . . 0.0 110.115 -178.644 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -103.85 4.17 34.65 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.31 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 55.47 45.72 24.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.498 -0.752 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 63.0 mt -118.68 150.18 47.77 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' VAL . 36.8 Cg_endo -65.68 148.97 87.49 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.474 1.45 . . . . 0.0 111.289 -179.794 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.41 -20.56 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.585 2.19 . . . . 0.0 112.942 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 95.2 t -59.67 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.017 -1.052 . . . . 0.0 110.998 -177.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.99 -42.89 89.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 119.096 -1.042 . . . . 0.0 109.412 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.12 -45.33 92.5 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.421 -0.8 . . . . 0.0 109.892 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.79 -40.28 96.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.947 -1.095 . . . . 0.0 109.72 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.71 -41.59 95.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.113 -0.992 . . . . 0.0 109.748 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -66.11 -41.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.039 -1.038 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ALA . 78.2 t -63.53 -39.71 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -28.69 67.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.533 -0.73 . . . . 0.0 110.534 -179.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -74.99 -30.94 61.3 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.311 -0.868 . . . . 0.0 109.837 -178.647 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 t -74.28 118.24 17.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 108.965 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.87 -40.02 93.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.46 -0.775 . . . . 0.0 110.487 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.89 -39.73 86.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.209 -0.932 . . . . 0.0 110.048 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -72.31 -40.99 67.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.613 -0.679 . . . . 0.0 110.541 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.298 -1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 110.58 -177.933 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 34.5 m-85 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.498 0.666 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.84 -40.28 92.24 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.335 -179.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.24 -39.8 95.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.462 -0.774 . . . . 0.0 111.036 -178.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 -32.77 84.24 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -1.045 . . . . 0.0 110.329 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.26 -48.46 81.65 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 109.476 -178.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.91 . . . . 0.0 109.556 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.72 65.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 110.062 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.99 139.72 56.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -178.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -165.72 167.08 17.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.447 -0.783 . . . . 0.0 109.258 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' B' ' 13' ' ' GLU . 49.8 mp0 -59.9 157.58 12.24 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.586 -179.44 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.2 t60 -65.23 71.31 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.347 -0.846 . . . . 0.0 109.107 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' GLU . 52.9 mm-40 -90.49 -161.39 0.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.411 -0.806 . . . . 0.0 109.81 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.08 -28.16 66.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.461 -0.774 . . . . 0.0 109.333 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.06 -36.45 77.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.313 -0.867 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -60.33 -40.27 90.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.745 -1.222 . . . . 0.0 109.805 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 p -60.33 -41.47 93.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 109.213 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.01 88.79 4.99 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.479 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -70.79 -27.66 64.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.199 -0.938 . . . . 0.0 110.736 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -61.61 -40.11 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.02 -1.05 . . . . 0.0 109.357 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.03 91.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.622 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.76 -47.52 85.36 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.27 -0.894 . . . . 0.0 109.874 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.45 -40.72 97.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.601 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.5 t -69.52 -39.94 77.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.889 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.49 -40.03 89.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 -178.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.76 3.87 34.56 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 -179.133 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 55.84 45.87 23.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.551 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 72.7 mt -119.25 149.58 47.59 Favored Pre-proline 0 N--CA 1.498 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' VAL . 35.5 Cg_endo -66.13 149.85 85.43 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.633 1.555 . . . . 0.0 111.386 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.98 -20.77 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.736 2.291 . . . . 0.0 112.787 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 29' ' ' PRO . 99.2 t -59.52 -50.34 80.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.012 -1.055 . . . . 0.0 110.614 -177.87 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.43 -42.8 87.65 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.076 -1.015 . . . . 0.0 109.266 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -63.16 -45.65 90.87 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.922 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.23 -40.33 97.16 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.808 -1.182 . . . . 0.0 110.023 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -60.84 -40.43 92.81 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.051 -1.031 . . . . 0.0 109.878 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -67.42 -41.13 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.239 -0.913 . . . . 0.0 108.987 -179.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 33' ' ' ALA . 90.3 t -64.07 -39.2 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.103 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.5 67.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.458 -0.776 . . . . 0.0 110.265 -179.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.1 m -74.7 -30.84 61.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.962 -1.086 . . . . 0.0 109.713 -179.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -74.83 117.54 16.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.897 -1.127 . . . . 0.0 109.145 179.864 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.91 -40.0 91.5 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.91 -38.52 82.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 0.0 110.466 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.01 -39.51 63.56 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.397 -0.814 . . . . 0.0 110.331 -178.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.372 -0.83 . . . . 0.0 110.71 -177.941 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 62.6 m-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.46 -39.84 95.54 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.22 -0.925 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.12 -43.39 87.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.387 -0.821 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.16 -35.51 92.18 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.374 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.26 -39.84 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.139 -1.212 . . . . 0.0 110.856 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.72 -45.14 93.06 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 109.06 -178.368 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.41 -40.57 77.25 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.022 -1.049 . . . . 0.0 110.268 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.04 66.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.416 -0.803 . . . . 0.0 110.575 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.32 140.33 58.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 108.908 -179.216 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -170.86 169.47 6.82 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.994 0.902 . . . . 0.0 110.269 -179.293 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.01 149.77 3.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.773 0.797 . . . . 0.0 110.608 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.8 81.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.671 0.748 . . . . 0.0 110.012 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -100.82 -163.0 0.98 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.544 -0.723 . . . . 0.0 109.543 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.22 -25.32 63.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.422 -0.799 . . . . 0.0 109.435 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.685 -0.635 . . . . 0.0 109.562 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.25 -0.906 . . . . 0.0 108.808 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.3 p -60.81 -44.65 96.6 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.291 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -92.62 87.99 6.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.175 -0.953 . . . . 0.0 109.151 178.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -70.9 -27.95 64.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.27 -0.894 . . . . 0.0 109.714 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -41.12 90.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.924 . . . . 0.0 109.577 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.0 ttm -61.31 -48.71 80.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.345 -0.847 . . . . 0.0 110.284 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.13 -41.0 99.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -67.13 -40.03 86.73 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.007 -1.058 . . . . 0.0 109.428 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -61.9 -40.32 95.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 110.477 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -101.71 -2.77 29.47 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 110.134 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.2 m-20 54.27 48.43 20.8 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.0 110.733 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -119.05 146.12 39.64 Favored Pre-proline 0 N--CA 1.504 2.244 0 O-C-N 121.259 -0.901 . . . . 0.0 108.876 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' VAL . 75.2 Cg_exo -47.89 139.49 19.6 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.747 1.631 . . . . 0.0 111.262 178.408 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -42.16 -15.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.327 2.018 . . . . 0.0 111.516 179.097 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.6 t -60.01 -49.87 82.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.666 -0.647 . . . . 0.0 110.976 -177.827 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.97 -44.92 92.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.017 -1.052 . . . . 0.0 108.956 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.77 91.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 110.115 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.89 -39.86 95.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.813 -1.179 . . . . 0.0 110.672 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.703 -1.248 . . . . 0.0 109.63 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.85 -40.1 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.285 -0.884 . . . . 0.0 109.235 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.77 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.03 78.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.751 -0.593 . . . . 0.0 110.428 -179.368 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -71.88 -30.33 65.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.09 -1.006 . . . . 0.0 110.145 -178.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -72.93 111.64 8.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.209 -0.932 . . . . 0.0 108.566 179.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.11 -40.35 89.39 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.071 -1.018 . . . . 0.0 110.769 -178.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -59.64 -39.47 84.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.453 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.07 -39.84 60.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.022 . . . . 0.0 110.115 -178.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.581 -0.699 . . . . 0.0 111.095 -177.679 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 61.9 m-85 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.21 -40.54 96.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.339 -0.851 . . . . 0.0 110.317 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -65.47 -40.51 93.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.326 -179.111 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.72 -34.17 86.56 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.05 -39.83 82.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.819 -0.813 . . . . 0.0 110.993 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.92 -45.58 92.12 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.786 -1.196 . . . . 0.0 109.1 -178.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.77 -40.38 76.11 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.82 68.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.146 -0.971 . . . . 0.0 110.35 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.14 140.42 57.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -170.16 169.27 7.95 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 109.986 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.1 152.4 2.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.324 -0.86 . . . . 0.0 110.634 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -67.07 80.37 0.12 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -99.92 -162.72 0.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.37 -26.96 63.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 0.0 109.378 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.38 -37.11 77.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 -179.404 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -60.04 -40.05 88.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.81 -1.182 . . . . 0.0 109.432 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -60.95 -41.33 96.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.783 -1.198 . . . . 0.0 108.736 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -96.3 85.43 3.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.554 -0.716 . . . . 0.0 109.403 179.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -69.93 -26.6 64.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.153 -0.967 . . . . 0.0 110.635 -179.691 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.86 92.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.012 -1.055 . . . . 0.0 110.334 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.15 92.59 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.849 -1.157 . . . . 0.0 109.451 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.4 ttm -60.13 -47.32 86.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.035 -1.041 . . . . 0.0 110.105 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.62 -41.1 98.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.419 -0.8 . . . . 0.0 109.582 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -68.47 -39.45 81.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.281 -0.887 . . . . 0.0 109.363 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.24 -40.35 95.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 110.09 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.69 -3.85 27.52 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.382 -0.823 . . . . 0.0 110.153 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 2.2 m-20 55.99 48.66 17.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.62 145.61 39.53 Favored Pre-proline 0 N--CA 1.501 2.087 0 O-C-N 121.359 -0.838 . . . . 0.0 109.072 179.177 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 31' ' ' VAL . 72.9 Cg_exo -47.82 139.29 19.51 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.619 1.546 . . . . 0.0 111.701 178.454 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.61 -17.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.28 1.987 . . . . 0.0 111.744 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 29' ' ' PRO . 59.2 t -58.99 -49.33 83.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.664 -0.648 . . . . 0.0 110.749 -178.322 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.87 -43.12 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.009 -1.057 . . . . 0.0 109.428 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -64.54 -45.3 87.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.444 -0.785 . . . . 0.0 109.802 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.06 -40.03 96.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.025 -1.047 . . . . 0.0 110.338 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -61.09 -40.44 93.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.836 -1.165 . . . . 0.0 109.417 -179.464 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.79 -40.68 88.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 109.171 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 33' ' ' ALA . 78.3 t -63.35 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.62 70.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.704 -0.622 . . . . 0.0 110.223 -179.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -74.16 -30.3 62.19 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.695 -1.253 . . . . 0.0 109.708 -178.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.48 111.34 8.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 108.613 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.88 -40.48 88.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 110.17 -178.863 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.11 -40.24 89.01 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.044 -1.035 . . . . 0.0 110.131 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.6 m -74.28 -39.94 62.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.745 -1.222 . . . . 0.0 110.493 -179.253 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 . . . . . 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.835 . . . . 0.0 110.951 -177.592 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.431 0.634 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.53 -40.13 90.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.2 -40.69 98.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.203 -0.936 . . . . 0.0 110.234 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.43 98.03 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -65.73 -40.07 86.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.79 -0.83 . . . . 0.0 110.41 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.01 -48.38 81.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.067 . . . . 0.0 110.039 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -68.97 -40.05 79.1 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.945 -1.097 . . . . 0.0 109.387 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.87 65.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.85 . . . . 0.0 109.61 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.84 139.65 58.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.0 109.265 -179.216 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 2.8 tp10 -168.75 -170.03 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 13.0 pt-20 -73.58 161.49 30.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.98 -1.075 . . . . 0.0 109.618 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.64 79.61 0.82 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 109.615 -179.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -101.53 -151.44 0.41 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.397 -0.815 . . . . 0.0 109.998 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.06 -34.11 72.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 109.828 -179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.801 -179.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.22 -40.74 91.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.943 -1.098 . . . . 0.0 109.382 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -62.53 -45.38 93.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.985 -1.072 . . . . 0.0 108.94 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.77 88.63 4.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.384 -0.823 . . . . 0.0 109.311 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -69.94 -28.28 65.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.088 -1.008 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.117 -0.99 . . . . 0.0 109.301 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -61.79 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 0.0 110.15 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.02 -41.31 99.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.028 -1.045 . . . . 0.0 110.095 -179.269 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -69.44 -39.95 77.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 110.147 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.86 -39.99 91.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.203 -0.936 . . . . 0.0 110.144 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.01 1.44 42.49 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.311 -0.868 . . . . 0.0 109.956 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.96 43.43 27.3 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.36 -0.837 . . . . 0.0 110.255 179.337 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 67.4 mt -116.12 152.38 47.7 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.5 Cg_endo -70.6 149.8 62.07 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.538 1.492 . . . . 0.0 111.058 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.65 -17.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.015 1.81 . . . . 0.0 112.067 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.2 t -59.87 -50.07 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.138 -0.976 . . . . 0.0 110.606 -178.324 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.53 -43.22 83.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.792 -1.193 . . . . 0.0 109.317 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.99 94.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.29 -40.0 92.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.019 -1.051 . . . . 0.0 110.182 179.626 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.15 -40.25 89.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.98 -1.075 . . . . 0.0 109.912 -179.31 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.7 -40.0 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.095 -1.003 . . . . 0.0 108.75 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.11 -40.03 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.04 76.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.47 -0.769 . . . . 0.0 109.472 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -73.67 -40.17 63.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 110.447 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.14 113.38 16.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.006 -1.059 . . . . 0.0 108.962 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.13 -39.98 88.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 0.0 110.476 -179.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.39 -39.94 89.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 110.427 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -75.18 -36.31 61.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.97 -1.081 . . . . 0.0 109.922 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.579 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.0 tt0 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.423 -0.798 . . . . 0.0 110.652 -178.25 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.381 0.61 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.14 90.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 109.818 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.15 -40.71 98.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.285 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.4 98.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.69 -40.0 86.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.796 -0.826 . . . . 0.0 110.41 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.06 -48.44 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.057 . . . . 0.0 110.04 -179.106 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.02 -39.96 78.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.918 -1.114 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.05 -28.89 65.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.856 . . . . 0.0 109.685 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.79 139.54 58.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.247 -179.28 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 2.8 tp10 -168.65 -170.06 1.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 13.0 pt-20 -73.64 161.47 30.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.7 -179.678 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -71.58 79.48 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.655 -179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -101.37 -151.44 0.41 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.336 -0.852 . . . . 0.0 109.976 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.98 -34.31 73.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.752 . . . . 0.0 109.849 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -59.93 -39.96 87.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 109.767 -179.112 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.36 -40.9 92.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.007 -1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.29 -45.48 93.06 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.945 -1.097 . . . . 0.0 108.992 179.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -98.81 88.77 4.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.425 -0.797 . . . . 0.0 109.257 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -70.0 -28.3 65.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.53 -39.97 89.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.029 -179.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -61.85 -43.46 98.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.14 -179.708 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.97 -41.34 99.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.051 -1.031 . . . . 0.0 110.115 -179.284 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.2 t -69.35 -39.98 77.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.229 -0.919 . . . . 0.0 110.196 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.8 -40.07 91.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 110.142 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -99.99 1.42 42.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 -179.451 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 m120 55.89 43.56 27.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.442 -0.786 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 67.7 mt -116.26 152.39 47.87 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.78 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.3 Cg_endo -70.59 149.75 62.08 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.574 1.516 . . . . 0.0 111.118 179.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.57 -17.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.124 1.882 . . . . 0.0 111.964 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 29' ' ' PRO . 58.7 t -60.03 -49.99 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.116 -0.99 . . . . 0.0 110.615 -178.224 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.56 -43.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 120.833 -1.167 . . . . 0.0 109.343 -179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.98 94.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 109.605 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.35 -40.07 92.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.98 -1.075 . . . . 0.0 110.082 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.15 -40.17 88.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.037 -1.039 . . . . 0.0 110.013 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.63 -40.09 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.067 -1.02 . . . . 0.0 108.599 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.23 -39.95 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.474 -0.766 . . . . 0.0 108.965 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.27 -33.88 76.23 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.543 -0.723 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -73.77 -39.96 63.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.139 -0.976 . . . . 0.0 110.428 -179.174 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -78.17 113.25 15.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 0.0 108.958 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -60.08 -40.06 88.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.451 -179.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.31 -39.99 88.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.958 . . . . 0.0 110.384 -179.026 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.29 -36.15 61.2 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 109.94 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.579 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.395 -0.816 . . . . 0.0 110.696 -178.314 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.588 0.708 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 mt -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.456 -0.778 . . . . 0.0 110.031 -179.313 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.25 -41.28 99.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.93 -1.106 . . . . 0.0 109.659 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.79 -38.08 95.63 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.13 -40.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.792 -0.828 . . . . 0.0 110.298 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -60.15 -46.12 90.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 110.217 -178.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -44.33 81.27 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.34 75.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.0 110.369 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.36 123.86 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 110.049 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.31 -164.92 2.13 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 154.78 41.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.932 -1.105 . . . . 0.0 108.985 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.9 t60 -63.3 82.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.91 . . . . 0.0 110.318 -178.606 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -91.33 -172.43 3.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.621 -0.674 . . . . 0.0 109.27 179.578 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.8 -26.63 65.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.469 -0.769 . . . . 0.0 109.129 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -59.59 -33.54 71.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.35 -0.844 . . . . 0.0 109.506 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.93 -40.42 88.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.065 -1.022 . . . . 0.0 109.013 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -60.05 -44.03 94.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.924 -1.11 . . . . 0.0 108.812 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.22 92.53 7.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.37 -27.3 64.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.193 -0.942 . . . . 0.0 110.011 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.02 -40.17 92.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.218 -0.926 . . . . 0.0 110.161 -179.054 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.6 ttm -63.31 -42.18 98.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.856 . . . . 0.0 109.564 -179.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.17 -43.67 94.41 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -68.52 -40.18 80.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.269 -0.895 . . . . 0.0 110.104 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.157 -0.964 . . . . 0.0 110.22 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -101.88 0.05 34.85 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.475 -0.765 . . . . 0.0 109.902 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' ALA . 96.9 m-20 54.61 47.34 22.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.143 179.639 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 56.2 mt -119.23 150.29 48.94 Favored Pre-proline 0 N--CA 1.5 2.064 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.22 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.65 160.77 48.05 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.769 1.646 . . . . 0.0 111.158 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.9 -19.76 8.87 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.479 2.119 . . . . 0.0 111.797 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.88 -50.53 79.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.987 -1.07 . . . . 0.0 110.38 -178.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.97 -46.83 78.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.99 98.34 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 110.123 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -63.69 -39.82 95.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.704 -1.247 . . . . 0.0 109.584 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -60.46 -41.58 94.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.987 -1.071 . . . . 0.0 109.833 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.431 HD12 ' SD ' ' A' ' 22' ' ' MET . 80.7 mt -61.23 -40.16 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 108.632 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -39.8 83.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.21 80.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.671 -0.643 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -71.93 -39.82 69.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.123 -0.985 . . . . 0.0 110.478 -178.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.1 114.06 13.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.885 -1.134 . . . . 0.0 108.288 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.14 -40.25 89.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.213 -178.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -60.0 -40.11 88.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.088 -1.007 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 11.7 m -79.72 -37.24 36.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.35 -0.844 . . . . 0.0 111.378 -178.099 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.645 0.736 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.5 mt -59.99 -40.43 89.15 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.558 -0.713 . . . . 0.0 110.078 -179.524 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.44 -40.53 97.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.83 -1.169 . . . . 0.0 109.68 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.9 95.15 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 179.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.1 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.723 -0.869 . . . . 0.0 110.726 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -60.43 -45.24 94.36 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.789 -1.194 . . . . 0.0 110.328 -178.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.5 -43.71 80.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.623 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.81 74.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.596 -0.69 . . . . 0.0 110.244 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.19 124.42 20.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.01 . . . . 0.0 109.88 -178.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -148.54 -165.03 2.16 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 155.79 40.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 108.874 179.512 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -64.43 81.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.331 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -90.58 -172.77 3.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.372 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -68.48 -27.44 66.15 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -58.95 -33.43 70.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.317 -0.865 . . . . 0.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -59.9 -40.33 88.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.891 -1.13 . . . . 0.0 109.058 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -59.99 -43.83 94.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.801 -1.187 . . . . 0.0 108.606 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.44 92.58 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.36 -26.68 63.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.902 -1.124 . . . . 0.0 110.093 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.78 -40.4 95.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 -179.034 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.6 89.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.002 -1.061 . . . . 0.0 109.761 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.4 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.3 ttm -62.86 -42.58 99.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.58 -43.96 95.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.535 -0.728 . . . . 0.0 109.929 -179.539 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.5 t -69.0 -39.83 79.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.432 -0.793 . . . . 0.0 110.113 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -62.41 -40.0 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.736 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 -0.0 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.306 -0.871 . . . . 0.0 110.042 -179.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.1 m-20 55.04 47.09 22.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.346 -0.846 . . . . 0.0 110.09 179.568 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 59.1 mt -119.5 150.74 50.44 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.319 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.75 161.24 46.25 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 121.57 1.513 . . . . 0.0 111.069 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.24 -19.69 9.75 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.384 2.056 . . . . 0.0 111.63 -179.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.71 -50.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.819 -1.176 . . . . 0.0 110.308 -178.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.92 -45.71 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.011 -1.055 . . . . 0.0 109.509 -179.564 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.37 95.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -63.99 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.906 -1.121 . . . . 0.0 109.492 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.98 -41.97 93.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.016 . . . . 0.0 110.056 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.4 HD12 ' SD ' ' B' ' 22' ' ' MET . 76.3 mt -61.0 -40.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.116 -0.99 . . . . 0.0 108.638 179.447 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.06 -39.85 83.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.669 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.63 81.83 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.773 -0.579 . . . . 0.0 109.94 179.676 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -72.0 -40.16 68.73 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.085 -1.009 . . . . 0.0 110.411 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.8 113.57 12.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.721 -1.237 . . . . 0.0 108.319 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.05 -40.23 88.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.4 -0.813 . . . . 0.0 110.25 -178.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -60.29 -39.78 88.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.908 -1.12 . . . . 0.0 109.243 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 m -79.38 -38.36 35.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 110.07 179.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 . . . . . 0 N--CA 1.495 1.799 0 O-C-N 121.17 -0.956 . . . . 0.0 111.311 -177.926 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.436 0.636 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.8 mt -59.85 -40.1 87.4 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.476 -0.765 . . . . 0.0 110.104 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.36 -40.39 95.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 110.398 -179.369 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.0 95.08 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.15 -39.32 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.742 -0.857 . . . . 0.0 110.032 179.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.074 -1.016 . . . . 0.0 110.368 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.05 -40.15 78.72 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.94 -1.1 . . . . 0.0 109.016 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.58 72.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.281 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.15 133.96 53.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 0.0 109.748 -179.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.85 -164.93 2.07 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.307 -0.871 . . . . 0.0 109.113 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -77.53 153.51 33.32 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.161 -0.962 . . . . 0.0 109.021 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -71.1 70.39 0.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.524 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.92 -150.97 0.41 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.628 -0.67 . . . . 0.0 109.313 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.06 -30.25 67.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.067 -1.021 . . . . 0.0 110.517 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -60.15 -38.39 83.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.896 -1.128 . . . . 0.0 109.95 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.931 -1.106 . . . . 0.0 109.365 -179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -61.88 -42.55 99.2 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.185 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -96.24 83.64 3.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -69.92 -25.2 63.56 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 109.156 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.79 -40.15 91.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.105 -0.997 . . . . 0.0 110.087 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.78 93.08 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.097 -1.002 . . . . 0.0 109.098 179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.6 ttp -64.61 -40.75 96.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.477 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.16 94.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.196 -0.94 . . . . 0.0 109.104 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.5 m -68.75 -39.79 80.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.483 -0.761 . . . . 0.0 110.54 -179.532 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 110.499 -178.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -100.56 1.24 40.71 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.286 -0.884 . . . . 0.0 109.883 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 55.38 47.25 21.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.381 -0.824 . . . . 0.0 109.696 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.96 149.95 46.37 Favored Pre-proline 0 N--CA 1.498 1.94 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.32 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.2 Cg_endo -70.5 148.85 61.16 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.683 1.589 . . . . 0.0 111.561 179.742 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -38.85 -25.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.367 179.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 66.5 t -53.07 -57.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.653 -0.654 . . . . 0.0 110.505 -178.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.36 -42.15 94.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.21 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.13 92.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.143 -0.973 . . . . 0.0 109.741 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.49 -39.76 88.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 110.208 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.24 -40.84 91.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.176 . . . . 0.0 109.267 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.56 -41.33 89.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.11 -40.28 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.52 80.58 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.666 -0.646 . . . . 0.0 109.538 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -72.29 -37.44 68.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.258 -0.901 . . . . 0.0 109.446 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.79 110.64 8.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.884 -1.135 . . . . 0.0 108.836 179.64 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.95 -40.54 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 110.367 -179.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -60.44 -40.71 92.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.515 -0.741 . . . . 0.0 110.357 -178.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.6 m -76.81 -31.03 56.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.965 -1.085 . . . . 0.0 109.908 -179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.845 . . . . 0.0 109.964 -179.357 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.355 0.598 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.03 -40.37 89.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.474 -0.766 . . . . 0.0 109.851 -178.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -63.36 -41.06 98.8 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -0.879 . . . . 0.0 110.355 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.55 94.69 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' B' ' 9' ' ' GLN . 73.3 mt -64.37 -39.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.547 -0.972 . . . . 0.0 109.904 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.076 -1.015 . . . . 0.0 110.451 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -68.31 -40.58 81.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.038 . . . . 0.0 108.855 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -33.54 73.23 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.557 -0.714 . . . . 0.0 110.225 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 5' ' ' ILE . 62.8 tt0 -64.26 133.96 53.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 109.816 -179.264 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.56 -165.0 2.07 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.202 -0.936 . . . . 0.0 109.085 179.689 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -77.08 156.93 31.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.327 -0.858 . . . . 0.0 109.058 179.595 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.05 69.98 1.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.511 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.62 -151.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.17 -30.28 67.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.01 -1.056 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -60.28 -38.3 83.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.072 -1.017 . . . . 0.0 109.776 -179.059 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -59.86 -40.37 88.38 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.08 -1.012 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.44 -41.75 97.68 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.992 -1.068 . . . . 0.0 108.408 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -97.14 83.2 3.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.384 -0.823 . . . . 0.0 108.866 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -69.82 -24.11 63.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.948 -1.095 . . . . 0.0 109.661 -179.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.79 -39.99 93.65 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.963 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.091 -1.006 . . . . 0.0 108.732 179.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.6 ttp -63.88 -40.29 96.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.051 -1.031 . . . . 0.0 109.439 179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.78 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.123 -0.986 . . . . 0.0 109.168 179.592 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.24 -39.87 78.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 110.563 -179.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.72 -40.04 93.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.69 -178.637 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.25 1.57 41.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.237 -0.914 . . . . 0.0 109.878 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 55.96 45.35 24.04 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.861 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -116.06 150.07 44.49 Favored Pre-proline 0 N--CA 1.503 2.179 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.478 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.4 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.6 1.533 . . . . 0.0 111.614 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.94 -25.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.614 2.21 . . . . 0.0 111.968 179.583 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -52.85 -56.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 110.683 -178.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.03 -41.3 91.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.003 -1.061 . . . . 0.0 109.848 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -60.9 -39.23 88.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.947 -1.096 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -60.35 -41.49 93.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 109.216 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.79 -41.49 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.69 -40.35 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.624 0.726 . . . . 0.0 109.059 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.78 -38.98 80.41 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.673 0.749 . . . . 0.0 109.673 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 m -72.58 -37.62 68.11 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 109.68 -179.547 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.1 111.51 9.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.958 -1.089 . . . . 0.0 109.03 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -60.45 -39.99 89.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.511 -0.743 . . . . 0.0 110.522 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.99 -39.97 91.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.916 . . . . 0.0 110.565 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.3 m -76.88 -32.13 57.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.146 -0.971 . . . . 0.0 109.741 -179.349 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.1 tt0 . . . . . 0 C--N 1.305 -1.368 0 O-C-N 121.346 -0.846 . . . . 0.0 109.984 -179.402 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.379 0.609 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.6 -39.93 92.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 0.0 110.387 -179.177 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.16 -40.51 94.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.062 -1.024 . . . . 0.0 110.628 -178.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -39.52 96.35 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.8 mt -68.75 -40.04 80.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.778 -0.836 . . . . 0.0 110.576 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -49.35 78.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.032 -1.042 . . . . 0.0 110.051 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.68 -40.17 92.09 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.968 -1.083 . . . . 0.0 108.49 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 -27.79 64.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.556 -0.715 . . . . 0.0 110.209 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.7 tt0 -60.51 138.79 57.97 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.547 -178.839 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -172.99 166.91 5.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.41 165.64 1.45 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.906 -1.121 . . . . 0.0 109.756 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -72.86 92.87 1.64 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.228 -0.92 . . . . 0.0 110.266 -178.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -102.38 -162.57 0.93 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.601 -0.687 . . . . 0.0 109.829 179.755 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.03 -30.68 68.02 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -60.29 -39.01 85.42 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.541 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.86 -39.72 86.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.19 -0.944 . . . . 0.0 109.225 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -60.11 -41.12 91.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.785 -1.197 . . . . 0.0 108.626 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -106.64 90.24 3.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.402 -0.811 . . . . 0.0 109.388 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -70.13 -25.92 63.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 0.0 109.544 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -60.72 -40.05 90.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.181 -0.95 . . . . 0.0 110.468 -179.409 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.25 95.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.98 -1.075 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.464 ' SD ' ' C ' ' A' ' 22' ' ' MET . 14.6 tmm? -63.54 -40.02 95.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.402 -0.811 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -42.27 96.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.116 -0.99 . . . . 0.0 109.33 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -67.65 -40.13 84.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.342 -0.849 . . . . 0.0 110.106 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -60.94 -39.93 91.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -98.4 0.04 44.59 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.382 -0.824 . . . . 0.0 109.142 179.72 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m120 54.81 47.31 22.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.627 -0.67 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -118.35 151.3 49.28 Favored Pre-proline 0 N--CA 1.504 2.246 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.171 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.6 Cg_endo -69.47 150.68 70.31 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.504 1.47 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.37 -21.35 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.098 1.865 . . . . 0.0 112.664 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.3 t -60.08 -49.88 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.935 -1.103 . . . . 0.0 111.211 -177.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.58 -40.71 82.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 108.853 -179.773 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.534 -0.729 . . . . 0.0 110.012 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.9 -37.72 83.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -41.36 91.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.765 -1.209 . . . . 0.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.22 -40.13 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.818 -1.176 . . . . 0.0 108.108 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.76 -40.01 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.45 0.643 . . . . 0.0 109.293 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.511 -0.743 . . . . 0.0 109.849 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -72.92 -40.0 65.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.919 . . . . 0.0 110.232 -179.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.83 112.82 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.057 -1.027 . . . . 0.0 109.179 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.31 -39.91 88.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.442 -0.786 . . . . 0.0 110.819 -179.167 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.76 -39.96 90.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 0.0 110.114 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.74 -27.91 55.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.091 -1.006 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 . . . . . 0 N--CA 1.488 1.461 0 O-C-N 121.441 -0.787 . . . . 0.0 110.559 -177.917 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.374 0.607 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.55 -39.96 92.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.418 -0.801 . . . . 0.0 110.363 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -65.13 -40.38 94.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.098 -1.001 . . . . 0.0 110.797 -178.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.54 96.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 77.3 mt -68.7 -40.0 81.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.804 -0.821 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.92 -49.23 78.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.101 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.82 -39.95 91.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.003 -1.061 . . . . 0.0 108.405 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.4 63.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.608 -0.682 . . . . 0.0 110.339 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -60.89 138.53 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.955 -1.091 . . . . 0.0 109.675 -178.914 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -172.82 166.98 5.26 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.63 165.94 1.49 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.912 -1.118 . . . . 0.0 109.682 -179.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -73.01 92.6 1.67 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.208 -0.932 . . . . 0.0 110.329 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -102.06 -162.61 0.94 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.557 -0.714 . . . . 0.0 109.753 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.8 -31.0 68.66 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -60.02 -38.83 83.84 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.094 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.9 p -59.98 -41.09 91.25 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.962 -1.095 . . . . 0.0 108.626 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -106.71 90.01 3.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.372 -0.83 . . . . 0.0 109.465 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.06 -25.59 63.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.038 -1.039 . . . . 0.0 109.727 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -61.06 -40.05 92.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.016 -1.053 . . . . 0.0 110.271 -179.389 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.15 95.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.041 -1.037 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' B' ' 22' ' ' MET . 14.6 tmm? -63.7 -40.01 95.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.82 . . . . 0.0 109.254 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.34 95.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.376 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.2 m -67.69 -39.92 84.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.277 -0.889 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.818 -179.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -98.3 -0.19 44.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.24 -0.913 . . . . 0.0 109.216 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m120 55.18 46.83 23.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.596 -0.69 . . . . 0.0 110.707 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -117.95 151.55 49.03 Favored Pre-proline 0 N--CA 1.502 2.148 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.67 150.82 69.27 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.541 1.494 . . . . 0.0 111.336 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -41.43 -21.45 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.148 1.899 . . . . 0.0 112.669 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.7 t -60.05 -50.06 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.915 -1.115 . . . . 0.0 111.27 -178.194 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.42 -40.89 82.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.824 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.17 96.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.528 -0.733 . . . . 0.0 110.05 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.8 -37.7 82.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 110.016 179.316 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.94 -41.33 91.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.834 -1.166 . . . . 0.0 109.429 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -40.07 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.817 -1.177 . . . . 0.0 108.049 179.274 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.73 -40.02 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.507 0.67 . . . . 0.0 109.359 179.297 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.75 94.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 109.852 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -73.05 -39.95 65.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.928 . . . . 0.0 110.266 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.88 112.58 13.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.005 -1.059 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.07 -40.14 88.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.826 -179.258 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.63 -40.06 90.56 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 m -76.41 -27.93 56.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.177 -0.952 . . . . 0.0 109.745 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 . . . . . 0 N--CA 1.489 1.508 0 O-C-N 121.343 -0.848 . . . . 0.0 110.532 -177.733 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.351 0.596 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.11 -39.92 91.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.361 -0.837 . . . . 0.0 110.292 -179.526 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.16 -44.1 97.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.04 -179.143 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.01 94.99 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.9 mt -65.61 -39.93 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.486 -1.009 . . . . 0.0 109.476 179.604 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.98 -48.64 80.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.283 -0.885 . . . . 0.0 109.814 -179.209 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.9 -40.95 78.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 0.0 109.13 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.63 64.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -61.6 139.68 58.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.067 . . . . 0.0 109.34 -178.862 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.75 170.35 14.09 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.81 151.89 28.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.102 -0.999 . . . . 0.0 110.059 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -66.03 80.08 0.08 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.363 -0.836 . . . . 0.0 110.12 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -101.01 -156.63 0.56 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.463 -0.773 . . . . 0.0 109.09 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.09 -32.16 70.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.945 . . . . 0.0 109.608 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -59.97 -37.44 79.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.739 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -59.87 -40.13 87.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.974 -1.079 . . . . 0.0 109.554 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -60.01 -41.06 91.33 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.684 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -97.81 86.34 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 108.879 178.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -70.02 -26.52 64.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 -179.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.06 -40.0 92.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.136 -0.977 . . . . 0.0 109.472 -179.459 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.11 89.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -0.917 . . . . 0.0 109.363 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -61.16 -42.1 97.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.463 -0.773 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.66 99.81 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.524 -0.735 . . . . 0.0 110.178 -179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.05 -40.06 92.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.935 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -100.26 -0.38 38.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.282 -0.886 . . . . 0.0 109.902 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 56.12 42.41 28.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.392 -0.817 . . . . 0.0 110.076 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 mt -113.84 151.72 44.98 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.8 Cg_endo -70.01 149.47 65.37 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.208 1.272 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.76 -18.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.111 1.874 . . . . 0.0 112.74 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' PRO . 57.4 t -60.09 -49.94 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.896 -1.128 . . . . 0.0 110.969 -177.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.89 -43.25 86.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.853 -1.154 . . . . 0.0 109.63 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.36 96.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.116 -0.99 . . . . 0.0 109.234 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -60.42 -38.3 83.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.928 . . . . 0.0 109.774 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.94 -42.82 94.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.507 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.62 -40.15 85.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.087 -1.008 . . . . 0.0 108.81 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.88 -40.02 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.313 -0.867 . . . . 0.0 109.521 179.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.28 -38.95 91.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.455 -0.778 . . . . 0.0 109.51 -179.603 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.52 -40.01 64.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.725 -179.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -76.29 113.75 14.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.223 -0.923 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.09 -39.98 94.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.49 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.12 -40.43 89.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.0 110.723 -179.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -78.17 -30.63 49.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.912 -1.117 . . . . 0.0 109.738 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 . . . . . 0 N--CA 1.49 1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.059 -178.771 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.08 -40.07 92.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.257 -0.902 . . . . 0.0 110.358 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.94 -44.25 97.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.0 110.084 -179.211 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.07 -38.93 95.06 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 9' ' ' GLN . 62.0 mt -65.44 -40.06 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.496 -1.002 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.98 -48.53 81.33 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.789 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -69.0 -40.92 78.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.088 -1.007 . . . . 0.0 109.191 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.38 64.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.735 -0.603 . . . . 0.0 110.245 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.9 tt0 -61.59 139.79 58.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.051 . . . . 0.0 109.311 -179.004 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -166.1 170.2 13.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.6 152.25 26.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.993 -179.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -66.51 80.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.07 -156.58 0.56 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.496 -0.753 . . . . 0.0 109.09 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -70.02 -32.19 70.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.664 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -37.35 79.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.748 -179.389 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.966 -1.084 . . . . 0.0 109.54 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.6 p -60.0 -41.06 91.3 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.925 -1.109 . . . . 0.0 108.627 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -97.76 86.31 3.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.43 -0.794 . . . . 0.0 108.988 179.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.02 -26.57 64.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.213 -0.929 . . . . 0.0 109.529 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -61.11 -40.01 92.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 0.0 109.424 -179.39 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.15 89.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.975 . . . . 0.0 109.354 179.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.06 -42.37 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.482 -0.761 . . . . 0.0 109.683 -179.644 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.86 99.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.679 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.0 t -69.01 -40.01 78.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 0.0 110.187 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.07 -39.99 91.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 0.0 110.091 -179.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.39 -0.38 38.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 56.12 42.44 28.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.489 -0.757 . . . . 0.0 110.084 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.89 151.6 44.91 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.408 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.4 Cg_endo -69.95 149.26 65.42 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.286 1.324 . . . . 0.0 110.93 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.62 -19.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.161 1.907 . . . . 0.0 112.628 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.9 t -59.95 -50.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.876 -1.14 . . . . 0.0 111.106 -177.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.8 -43.28 86.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 120.903 -1.123 . . . . 0.0 109.569 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.59 97.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 109.211 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -60.19 -38.31 82.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.211 -0.931 . . . . 0.0 109.768 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.92 -42.94 95.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 109.545 -179.072 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.52 -39.96 84.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.146 -0.972 . . . . 0.0 108.938 179.887 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.06 -40.0 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.422 -0.799 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.24 -39.0 92.13 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.494 -0.754 . . . . 0.0 109.493 -179.547 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.6 m -73.49 -39.95 64.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.787 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.33 113.83 14.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.05 -40.03 94.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 110.498 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.16 -40.26 89.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 110.739 -179.055 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.38 -30.59 47.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.998 -1.064 . . . . 0.0 109.676 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 110.028 -178.764 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.344 0.592 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.91 -40.9 94.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.383 -0.823 . . . . 0.0 110.814 -178.851 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.98 -45.68 93.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.269 -179.099 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.8 96.37 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.08 -39.9 87.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.618 -0.931 . . . . 0.0 110.175 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.26 -43.57 96.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.718 -1.239 . . . . 0.0 109.995 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.62 -40.42 76.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.0 -1.062 . . . . 0.0 108.628 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.02 68.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.532 -0.73 . . . . 0.0 110.084 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.07 139.93 57.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.894 -1.129 . . . . 0.0 109.099 -178.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -169.07 159.88 9.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 109.17 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.48 162.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.502 -0.749 . . . . 0.0 110.207 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.498 ' ND1' ' SG ' ' A' ' 43' ' ' CYS . 75.6 t60 -71.07 70.86 0.54 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -82.25 -174.17 4.97 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.566 -0.709 . . . . 0.0 109.718 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -68.46 -24.93 64.76 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.06 -33.77 72.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 109.66 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -59.96 -40.81 90.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.876 -1.14 . . . . 0.0 109.229 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -60.91 -46.95 88.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 108.186 179.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.29 79.32 4.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -69.97 -23.34 63.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 -179.56 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.95 -40.19 92.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 0.0 110.322 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.16 96.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.893 -1.13 . . . . 0.0 109.403 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.0 ttp -62.99 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.719 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.42 -46.43 88.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 109.367 179.672 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 110.087 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.44 -0.788 . . . . 0.0 109.82 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.46 1.3 43.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.891 . . . . 0.0 109.707 -179.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 54.37 47.69 22.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.415 -0.803 . . . . 0.0 110.465 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -119.67 150.75 50.86 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.222 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 50.3 Cg_endo -69.77 152.15 69.16 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.588 1.525 . . . . 0.0 111.073 179.617 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -42.55 -17.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.101 1.867 . . . . 0.0 112.472 -179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' PRO . 98.0 t -60.02 -54.66 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.978 -1.076 . . . . 0.0 111.179 -178.312 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.88 -40.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.1 -1.0 . . . . 0.0 108.983 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.89 86.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.98 -39.81 95.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.929 -1.107 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.55 -40.27 90.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.843 -1.161 . . . . 0.0 109.7 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.1 -39.93 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.058 -1.026 . . . . 0.0 108.401 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.15 -40.17 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.09 69.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 109.947 -179.313 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -73.07 -33.91 65.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.123 -0.986 . . . . 0.0 109.483 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.64 112.04 11.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.0 109.403 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -40.09 89.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.494 -0.754 . . . . 0.0 110.379 -179.815 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.25 -41.21 92.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' SG ' ' ND1' ' A' ' 12' ' ' HIS . 52.9 m -77.92 -29.96 50.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.773 -179.805 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.471 -0.768 . . . . 0.0 111.47 -177.625 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.327 0.584 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.16 -40.39 93.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.53 -45.5 93.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 110.125 -179.132 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.76 -38.43 95.92 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.04 -39.96 87.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.583 -0.951 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.99 -43.57 95.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.774 -1.204 . . . . 0.0 110.101 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.76 -40.37 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.89 -1.131 . . . . 0.0 108.651 179.401 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.72 67.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 110.3 179.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.16 139.41 58.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.1 -1.0 . . . . 0.0 109.223 -178.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -168.52 159.99 10.65 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.296 -0.877 . . . . 0.0 109.31 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.8 162.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.326 -0.858 . . . . 0.0 110.1 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.484 ' ND1' ' SG ' ' B' ' 43' ' ' CYS . 75.2 t60 -71.0 70.99 0.53 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.361 -0.837 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.28 -174.49 5.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.588 -0.695 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.73 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -59.98 -33.61 72.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.713 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -40.42 89.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.872 -1.143 . . . . 0.0 109.311 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -61.28 -46.76 88.99 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.126 . . . . 0.0 108.209 179.199 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.39 78.96 4.41 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.612 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -69.86 -23.09 63.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.909 . . . . 0.0 109.755 -179.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -61.15 -40.06 92.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.0 110.291 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.917 -1.115 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.7 ttp -63.02 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.423 -0.798 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.38 -46.26 89.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 109.282 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.04 -39.82 93.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.844 . . . . 0.0 110.171 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -61.79 -39.98 93.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.942 -179.582 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -99.53 0.69 42.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.222 -0.924 . . . . 0.0 109.673 -179.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.4 m-20 55.17 47.26 22.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.327 -0.858 . . . . 0.0 110.395 179.487 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -119.57 150.76 50.64 Favored Pre-proline 0 N--CA 1.502 2.149 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.2 Cg_endo -69.93 152.44 68.43 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.551 1.501 . . . . 0.0 111.256 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.8 -17.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.974 1.783 . . . . 0.0 112.456 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.4 t -60.05 -54.4 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.09 -1.006 . . . . 0.0 111.189 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.15 -40.98 83.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.295 -0.878 . . . . 0.0 108.949 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.98 85.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.511 -0.743 . . . . 0.0 109.939 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.74 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.965 -1.084 . . . . 0.0 110.234 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.37 -40.47 90.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.95 -1.094 . . . . 0.0 109.785 -179.499 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.62 -40.34 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.881 -1.137 . . . . 0.0 108.093 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.32 -39.9 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.651 -0.655 . . . . 0.0 109.277 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.68 68.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.411 -0.806 . . . . 0.0 110.099 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -73.34 -33.72 65.27 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.56 112.1 11.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 109.244 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.76 -39.91 90.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.394 -0.816 . . . . 0.0 110.41 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.04 -41.36 92.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 110.189 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . 0.484 ' SG ' ' ND1' ' B' ' 12' ' ' HIS . 46.6 m -77.94 -30.03 50.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.008 -1.058 . . . . 0.0 109.726 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 111.457 -177.475 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.522 0.677 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.08 -40.11 92.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.524 -179.384 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 8.9 p-10 -61.49 -49.79 75.33 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -179.069 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.61 -38.14 86.26 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.652 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -1.027 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -69.45 -40.0 77.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 108.675 179.275 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -27.42 63.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 110.092 179.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.63 126.18 26.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 0.0 109.73 -178.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -148.1 -164.12 1.94 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.45 -0.781 . . . . 0.0 109.15 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 43.1 mp0 -75.07 158.42 33.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.734 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.37 77.06 2.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.548 -179.677 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.86 -156.44 0.56 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.384 -0.823 . . . . 0.0 109.581 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.32 -30.42 68.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -60.0 -38.9 83.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.372 -0.83 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.99 -39.99 87.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.973 -1.08 . . . . 0.0 108.431 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -67.67 -39.99 84.48 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.955 -1.091 . . . . 0.0 108.536 179.199 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -94.05 80.71 4.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 109.11 179.382 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -70.06 -27.57 64.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -60.1 -40.04 88.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 -179.07 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.49 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.574 ' CE ' HD12 ' A' ' 36' ' ' ILE . 59.6 ttp -64.12 -40.88 97.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.255 -0.903 . . . . 0.0 109.452 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.63 -40.52 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.042 -1.036 . . . . 0.0 108.949 179.882 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -68.8 -39.9 79.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.499 -0.751 . . . . 0.0 110.287 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -61.56 -39.95 92.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.763 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.92 -1.38 40.14 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.409 -0.807 . . . . 0.0 109.519 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 84.7 m-20 53.95 45.92 26.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.74 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.98 151.2 44.61 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.7 Cg_endo -71.61 149.35 55.12 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.593 1.529 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -40.95 -20.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.161 1.908 . . . . 0.0 112.56 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 59.8 t -59.87 -50.82 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.805 -1.184 . . . . 0.0 110.516 -177.824 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.61 -42.42 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.842 -1.161 . . . . 0.0 109.271 179.485 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.98 95.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.297 -0.877 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -62.0 -40.11 94.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.028 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 12.6 tm-20 -59.87 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.064 -1.022 . . . . 0.0 110.344 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.574 HD12 ' CE ' ' A' ' 22' ' ' MET . 15.8 mt -61.14 -40.02 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.744 -1.223 . . . . 0.0 108.173 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.1 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 108.765 179.072 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -67.7 -38.61 83.89 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.653 -0.655 . . . . 0.0 109.688 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.5 m -71.67 -40.12 69.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.315 -0.866 . . . . 0.0 109.853 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -76.32 115.07 15.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.09 -1.006 . . . . 0.0 109.229 179.773 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.17 -40.05 88.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 0.0 110.176 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -59.93 -42.27 93.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 109.855 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.04 -22.64 42.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.173 -178.345 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.499 0.666 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.33 -39.96 92.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.581 -0.699 . . . . 0.0 110.531 -179.435 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 9.1 p-10 -61.34 -50.0 74.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.944 . . . . 0.0 110.436 -179.173 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.05 85.85 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.66 -40.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.397 -1.061 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -59.93 -41.56 92.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.887 -1.133 . . . . 0.0 110.032 -178.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.29 -40.18 77.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.973 -1.079 . . . . 0.0 108.598 179.281 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.59 64.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.641 -0.662 . . . . 0.0 110.046 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.53 126.19 26.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.012 . . . . 0.0 109.734 -178.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -148.11 -163.89 1.88 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 42.9 mp0 -75.21 158.52 32.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 109.727 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -75.39 77.14 2.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 109.594 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.97 -156.72 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.475 -0.766 . . . . 0.0 109.515 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.16 -30.47 68.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.206 -0.934 . . . . 0.0 109.203 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -59.91 -38.98 83.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.148 -179.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.94 -40.0 87.48 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.181 -1.008 . . . . 0.0 108.5 179.593 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.6 p -67.55 -39.97 84.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.912 -1.118 . . . . 0.0 108.621 179.097 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.14 80.6 4.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.843 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -69.98 -27.53 64.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 109.688 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -60.04 -40.14 88.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.909 . . . . 0.0 109.678 -179.089 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.57 98.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.571 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' MET . . . . . 0.579 ' CE ' HD12 ' B' ' 36' ' ' ILE . 59.5 ttp -64.19 -41.12 97.22 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.243 -0.91 . . . . 0.0 109.461 -179.905 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.39 -40.58 96.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.149 -0.969 . . . . 0.0 109.021 179.852 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -68.6 -40.09 80.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.508 -0.745 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 109.747 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -99.03 -1.22 40.25 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.406 -0.809 . . . . 0.0 109.441 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.4 m-20 53.72 45.9 27.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.0 109.791 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.96 151.16 44.56 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 31' ' ' VAL . 59.6 Cg_endo -71.43 149.3 56.16 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.613 1.542 . . . . 0.0 111.363 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.96 -20.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.118 1.879 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' PRO . 62.2 t -59.87 -51.02 77.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.772 -1.205 . . . . 0.0 110.675 -177.776 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 -42.46 80.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.817 -1.177 . . . . 0.0 109.207 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.94 95.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.353 -0.842 . . . . 0.0 109.961 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -61.98 -39.96 93.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.095 -1.003 . . . . 0.0 110.087 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . 0.428 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 12.4 tm-20 -60.1 -39.92 87.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.079 -1.013 . . . . 0.0 110.376 -178.841 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' B' ' 22' ' ' MET . 16.2 mt -61.3 -39.89 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.771 -1.205 . . . . 0.0 108.169 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.02 -40.07 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.177 -0.952 . . . . 0.0 108.795 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.54 -38.82 84.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.677 -0.64 . . . . 0.0 109.726 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' SER . . . . . 0.428 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 61.0 m -71.51 -40.04 70.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.254 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.45 114.86 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.125 -0.985 . . . . 0.0 109.157 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -60.1 -40.01 88.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.452 -0.78 . . . . 0.0 110.155 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.08 -42.22 94.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.083 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.12 -22.44 42.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.858 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 33.7 tt0 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.183 -0.948 . . . . 0.0 110.259 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.392 0.615 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.7 -41.31 94.94 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.547 -0.72 . . . . 0.0 111.009 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -63.11 -41.11 99.28 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.969 -1.082 . . . . 0.0 110.062 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.91 -38.47 96.08 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.011 -1.636 . . . . 0.0 109.011 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.8 mt -66.34 -39.94 85.44 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.413 0 O-C-N 121.517 -0.99 . . . . 0.0 110.288 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.06 -46.67 88.79 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.996 -1.065 . . . . 0.0 109.784 -178.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -69.58 -40.08 76.93 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.874 -1.141 . . . . 0.0 109.132 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.28 -37.06 80.3 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.513 -0.742 . . . . 0.0 110.1 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.42 132.74 53.56 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.208 -0.933 . . . . 0.0 110.196 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 4.0 tp10 -158.31 -149.61 0.23 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.318 -0.864 . . . . 0.0 109.088 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.401 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 79.8 mt-10 -80.95 155.1 26.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.053 -1.03 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -72.32 78.72 1.0 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.423 -0.798 . . . . 0.0 109.158 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -100.38 -155.98 0.53 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.369 -0.832 . . . . 0.0 109.911 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -69.77 -30.9 68.57 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.417 -0.802 . . . . 0.0 109.13 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -59.94 -39.99 87.41 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.461 -0.774 . . . . 0.0 109.123 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.01 -40.77 90.39 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.214 -0.929 . . . . 0.0 109.39 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -60.41 -49.03 79.21 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.946 -1.097 . . . . 0.0 108.866 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -95.37 91.56 6.29 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.341 -0.849 . . . . 0.0 108.868 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -70.02 -27.28 64.55 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.064 -1.022 . . . . 0.0 110.009 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -39.98 88.85 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.101 -0.999 . . . . 0.0 110.153 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.05 -44.83 94.4 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.083 -1.011 . . . . 0.0 109.561 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.6 ttp -60.89 -42.35 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.426 -0.796 . . . . 0.0 110.022 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.74 95.32 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.14 -0.975 . . . . 0.0 109.244 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.6 t -70.06 -39.98 75.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.384 -0.823 . . . . 0.0 109.749 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.75 -39.98 90.73 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.304 -0.873 . . . . 0.0 109.976 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -99.22 0.56 43.48 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.313 -0.867 . . . . 0.0 109.589 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 53.27 44.74 29.76 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.432 -0.793 . . . . 0.0 110.126 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 41.2 mt -113.37 150.91 43.88 Favored Pre-proline 0 N--CA 1.499 2.017 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.9 Cg_endo -67.95 145.35 67.68 Favored 'Trans proline' 0 C--N 1.309 -1.542 0 C-N-CA 121.287 1.324 . . . . 0.0 110.805 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -40.23 -18.1 0.05 OUTLIER 'Trans proline' 0 N--CA 1.493 1.481 0 C-N-CA 122.313 2.009 . . . . 0.0 113.087 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.513 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.2 t -59.98 -50.05 81.63 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 120.95 -1.094 . . . . 0.0 110.693 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.4 t -67.71 -41.98 85.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.8 -1.188 . . . . 0.0 109.58 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.63 98.48 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.353 -0.842 . . . . 0.0 110.279 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -60.9 -39.46 89.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.126 -0.983 . . . . 0.0 110.162 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -60.0 -39.98 87.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.59 -40.0 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.849 -1.157 . . . . 0.0 108.809 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 56.1 t -63.84 -40.03 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.43 -0.794 . . . . 0.0 108.904 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.97 -38.75 89.36 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.586 -0.696 . . . . 0.0 109.671 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 64.1 m -72.7 -39.96 66.59 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 110.278 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 15.7 t -75.85 112.62 12.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.988 -1.07 . . . . 0.0 108.754 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.437 -0.789 . . . . 0.0 110.365 -179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.88 -39.99 91.29 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.086 -1.009 . . . . 0.0 109.997 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 36.9 m -77.71 -27.72 50.7 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.87 -1.143 . . . . 0.0 110.089 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -76.21 -74.53 0.22 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.147 -0.97 . . . . 0.0 110.56 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.3 mt -71.54 135.45 47.06 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.222 -0.924 . . . . 0.0 109.392 -179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.0 -79.91 0.33 Allowed 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.247 -0.908 . . . . 0.0 108.667 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.37 -169.9 46.15 Favored Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -78.74 149.9 32.58 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -1.171 . . . . 0.0 109.514 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -69.66 -92.98 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.094 -1.004 . . . . 0.0 109.627 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -79.01 155.25 28.93 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.476 -0.765 . . . . 0.0 109.69 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 41.3 p-80 -76.29 -1.9 28.89 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.256 -0.902 . . . . 0.0 108.679 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.3 -106.67 2.72 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.227 -1.549 . . . . 0.0 109.227 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -145.88 159.41 43.25 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.369 -1.077 . . . . 0.0 108.953 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 86.1 t -97.31 122.94 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.234 -0.916 . . . . 0.0 109.304 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 t70 . . . . . 0 N--CA 1.49 1.532 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.313 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.445 0.64 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.48 -41.7 94.77 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.451 -0.781 . . . . 0.0 110.959 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -62.89 -40.94 99.1 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.943 -1.098 . . . . 0.0 110.111 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.1 -38.47 96.17 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 108.951 -1.66 . . . . 0.0 108.951 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.5 mt -66.25 -40.0 85.74 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 121.519 -0.989 . . . . 0.0 110.269 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -59.98 -46.87 88.03 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.943 -1.098 . . . . 0.0 109.816 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.49 -40.04 77.28 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.855 -1.153 . . . . 0.0 109.138 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.06 80.33 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.516 -0.74 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -62.63 133.18 54.5 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.338 -0.851 . . . . 0.0 110.218 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.408 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 4.0 tp10 -158.68 -149.55 0.22 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.415 -0.803 . . . . 0.0 109.12 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 80.0 mt-10 -80.84 155.17 26.73 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.073 -1.017 . . . . 0.0 109.989 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -72.57 78.73 1.07 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.261 -0.899 . . . . 0.0 109.072 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -100.3 -155.84 0.53 Allowed 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.419 -0.8 . . . . 0.0 109.858 -179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -69.91 -30.8 68.31 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.08 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.389 -0.819 . . . . 0.0 109.005 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.07 -40.93 91.24 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.16 -0.963 . . . . 0.0 109.43 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -60.17 -49.1 78.96 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.859 -1.15 . . . . 0.0 108.911 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -95.25 91.43 6.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.164 -0.96 . . . . 0.0 109.001 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -70.01 -27.22 64.51 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.148 -0.97 . . . . 0.0 109.957 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -60.29 -40.08 89.2 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.198 -0.939 . . . . 0.0 110.048 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.81 94.21 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.069 -1.019 . . . . 0.0 109.655 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 30.4 ttp -60.91 -42.24 97.69 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -40.64 95.37 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 109.273 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.0 t -70.0 -40.03 75.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.367 -0.833 . . . . 0.0 109.752 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -60.71 -40.0 90.62 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.342 -0.849 . . . . 0.0 109.926 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -99.21 0.5 43.4 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.277 -0.889 . . . . 0.0 109.505 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 53.31 44.74 29.7 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.406 -0.809 . . . . 0.0 110.049 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.9 mt -113.4 150.89 43.86 Favored Pre-proline 0 N--CA 1.501 2.103 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.515 ' O ' ' N ' ' B' ' 31' ' ' VAL . 40.1 Cg_endo -67.84 145.33 68.27 Favored 'Trans proline' 0 C--N 1.31 -1.459 0 C-N-CA 121.309 1.339 . . . . 0.0 110.809 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -40.22 -18.11 0.05 OUTLIER 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 122.343 2.029 . . . . 0.0 113.112 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.2 t -59.94 -49.93 82.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 O-C-N 120.958 -1.089 . . . . 0.0 110.711 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.0 t -67.8 -42.0 85.65 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.799 -1.188 . . . . 0.0 109.557 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.95 -43.45 98.82 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.273 -0.892 . . . . 0.0 110.193 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -61.11 -39.28 89.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.144 -0.972 . . . . 0.0 110.239 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.07 -39.95 87.82 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.967 -1.083 . . . . 0.0 109.609 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 86.2 mt -62.51 -39.98 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 O-C-N 120.872 -1.142 . . . . 0.0 108.87 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.85 -39.98 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.418 -0.801 . . . . 0.0 108.842 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.92 -38.92 89.96 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.556 -0.715 . . . . 0.0 109.634 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 64.4 m -72.62 -40.01 66.81 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.272 -0.893 . . . . 0.0 110.309 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.5 t -75.74 112.56 12.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.964 -1.085 . . . . 0.0 108.667 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -59.99 -40.0 87.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.348 -0.845 . . . . 0.0 110.381 -179.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -60.97 -39.98 91.65 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.103 -0.998 . . . . 0.0 109.949 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 m -77.75 -27.57 50.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.957 -1.089 . . . . 0.0 110.149 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -76.17 -74.43 0.23 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.008 -1.058 . . . . 0.0 110.646 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.61 135.49 46.98 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.39 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -90.0 -79.83 0.33 Allowed 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.33 -169.87 46.09 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -78.85 149.92 32.38 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.551 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -69.79 -93.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.221 -0.924 . . . . 0.0 109.586 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.5 ptt? -78.9 155.33 29.11 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 121.462 -0.774 . . . . 0.0 109.75 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -76.5 -1.75 28.8 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.318 -0.864 . . . . 0.0 108.696 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 82.08 -106.66 2.7 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -145.95 159.4 43.29 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.4 -1.059 . . . . 0.0 108.954 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.28 123.03 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.255 -0.903 . . . . 0.0 109.28 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 21.7 t70 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 117.979 -1.01 . . . . 0.0 109.231 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 121.484 0.659 . . . . 0.0 109.771 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.27 -39.99 88.78 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.491 -0.756 . . . . 0.0 110.144 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -60.08 -49.98 75.52 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.171 -0.956 . . . . 0.0 110.412 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.17 -39.99 96.64 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.264 -1.534 . . . . 0.0 109.264 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.4 mt -64.77 -40.14 88.04 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.516 -0.99 . . . . 0.0 110.247 -179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -60.0 -47.87 84.05 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.038 -1.039 . . . . 0.0 109.56 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.37 -40.06 81.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.164 -0.96 . . . . 0.0 108.998 179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.26 -32.82 70.81 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.566 -0.709 . . . . 0.0 109.872 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.5 tt0 -61.19 127.16 30.15 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.388 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -149.29 -164.44 2.03 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.419 -0.801 . . . . 0.0 109.173 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -79.88 156.21 27.42 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.309 -0.869 . . . . 0.0 109.571 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.424 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 67.0 t60 -69.61 72.12 0.34 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.2 -0.937 . . . . 0.0 109.467 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -101.08 -151.19 0.41 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.605 -0.685 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -69.9 -30.99 68.55 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.215 -0.928 . . . . 0.0 109.922 -179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -59.98 -39.98 87.55 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.08 -1.012 . . . . 0.0 109.786 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.43 -39.99 89.44 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.01 -1.056 . . . . 0.0 109.56 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.2 p -61.19 -45.29 95.19 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.951 -1.093 . . . . 0.0 109.227 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -96.32 89.9 5.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.279 -0.888 . . . . 0.0 109.346 179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.3 p-90 -70.02 -27.18 64.47 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.16 -0.962 . . . . 0.0 109.247 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -60.57 -39.92 89.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.281 -0.887 . . . . 0.0 110.043 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.73 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.002 -1.061 . . . . 0.0 108.83 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.446 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -62.71 -43.12 99.64 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.505 -0.747 . . . . 0.0 109.532 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.03 -44.24 96.47 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.119 -0.988 . . . . 0.0 109.816 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.7 m -68.33 -40.05 81.72 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.217 -0.927 . . . . 0.0 110.029 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -60.32 -41.82 94.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.214 -0.929 . . . . 0.0 110.334 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -102.33 -0.01 33.45 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.44 -0.788 . . . . 0.0 110.031 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.7 m-20 55.82 43.15 28.14 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.498 -0.751 . . . . 0.0 110.786 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 42.3 mt -112.41 150.93 43.35 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' A' ' 31' ' ' VAL . 53.3 Cg_endo -68.38 149.38 75.09 Favored 'Trans proline' 0 N--CA 1.491 1.33 0 C-N-CA 121.555 1.503 . . . . 0.0 111.288 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -40.73 -18.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.283 0 C-N-CA 122.114 1.876 . . . . 0.0 112.4 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.5 t -59.98 -49.99 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.046 -1.034 . . . . 0.0 110.793 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.72 -43.45 82.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 120.789 -1.194 . . . . 0.0 109.249 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.44 -40.76 93.67 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.256 -0.903 . . . . 0.0 109.815 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.52 -40.05 96.02 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.995 -1.065 . . . . 0.0 110.003 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 35' ' ' GLU . 2.7 tm-20 -60.82 -40.03 91.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.859 -1.15 . . . . 0.0 109.572 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.446 HD12 ' SD ' ' A' ' 22' ' ' MET . 83.8 mt -61.8 -40.0 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 120.984 -1.073 . . . . 0.0 108.664 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.89 -39.99 85.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.31 -34.62 78.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.662 -0.648 . . . . 0.0 109.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.75 -37.58 65.02 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.083 -1.011 . . . . 0.0 110.271 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -74.84 114.73 13.63 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.837 -1.164 . . . . 0.0 109.371 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -60.14 -39.95 88.11 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.268 -0.895 . . . . 0.0 110.239 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -61.32 -44.45 97.18 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.026 -1.046 . . . . 0.0 110.061 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.424 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 12.0 m -79.98 -32.52 39.79 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.017 -1.052 . . . . 0.0 110.481 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -68.38 -53.97 20.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.459 -0.775 . . . . 0.0 112.058 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.2 mt -80.01 100.81 8.32 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.648 -1.283 . . . . 0.0 110.281 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -99.22 -10.81 21.96 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.631 -0.668 . . . . 0.0 109.351 179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.74 159.04 43.68 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 110.463 -1.055 . . . . 0.0 110.463 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -91.15 -4.51 56.08 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.402 -1.058 . . . . 0.0 110.052 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.11 93.51 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.125 -0.984 . . . . 0.0 109.25 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.481 ' C ' ' CG ' ' A' ' 51' ' ' HIS . 71.0 mtm -115.61 -164.77 0.98 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.552 -0.717 . . . . 0.0 109.762 -179.521 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.611 ' O ' ' N ' ' B' ' 51' ' ' HIS . 6.6 m80 83.53 110.81 0.06 Allowed 'General case' 0 N--CA 1.504 2.256 0 CA-C-O 121.145 0.498 . . . . 0.0 111.119 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.01 -27.25 0.23 Allowed Glycine 0 N--CA 1.499 2.888 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 52.83 -167.64 0.05 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.284 -1.127 . . . . 0.0 109.167 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.77 119.96 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 121.333 -0.854 . . . . 0.0 109.445 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.017 -0.992 . . . . 0.0 109.602 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.507 0.67 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.15 -40.07 88.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.377 -0.827 . . . . 0.0 110.139 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -60.03 -50.0 75.45 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.113 -0.992 . . . . 0.0 110.406 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.18 -40.03 96.7 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.5 mt -64.81 -40.06 87.78 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.453 -1.028 . . . . 0.0 110.241 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -60.08 -47.88 84.06 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.002 -1.061 . . . . 0.0 109.516 -179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -68.27 -39.97 82.0 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.152 -0.968 . . . . 0.0 108.974 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -32.79 70.72 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.535 -0.728 . . . . 0.0 109.868 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.18 127.24 30.58 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.266 -0.896 . . . . 0.0 109.361 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -149.44 -164.35 2.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.425 -0.797 . . . . 0.0 109.158 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -79.97 156.29 27.27 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.377 -0.827 . . . . 0.0 109.64 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 66.7 t60 -69.63 71.99 0.34 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.077 -1.014 . . . . 0.0 109.515 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -100.92 -151.12 0.4 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.488 -0.757 . . . . 0.0 109.53 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.05 -30.74 68.07 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 109.927 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -60.0 -39.98 87.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.198 -0.939 . . . . 0.0 109.784 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.941 -1.099 . . . . 0.0 109.571 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.0 p -61.08 -45.53 94.37 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.968 -1.083 . . . . 0.0 109.201 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -96.34 90.39 5.42 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.202 -0.936 . . . . 0.0 109.293 179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -69.97 -27.37 64.67 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.187 -0.945 . . . . 0.0 109.275 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.48 -39.99 89.65 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.334 -0.854 . . . . 0.0 110.079 -179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.075 -1.015 . . . . 0.0 108.814 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.444 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.9 ttm -62.6 -43.1 99.67 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.46 -0.775 . . . . 0.0 109.631 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.88 -44.34 96.37 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 109.858 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.2 m -68.29 -40.06 81.91 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.2 -0.937 . . . . 0.0 110.082 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.4 -41.88 94.79 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.28 -0.888 . . . . 0.0 110.337 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -102.38 0.06 33.41 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.325 -0.86 . . . . 0.0 110.044 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 23' ' ' ALA . 95.7 m-20 55.8 42.9 28.56 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.508 -0.745 . . . . 0.0 110.809 179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 42.4 mt -111.97 150.87 43.02 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.3 Cg_endo -68.54 149.51 74.34 Favored 'Trans proline' 0 C--N 1.312 -1.348 0 C-N-CA 121.432 1.421 . . . . 0.0 111.413 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -40.69 -18.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.242 1.961 . . . . 0.0 112.42 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.8 t -60.11 -49.92 82.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.031 -1.043 . . . . 0.0 110.688 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.76 -43.65 82.7 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.821 -1.174 . . . . 0.0 109.285 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.91 94.94 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.352 -0.842 . . . . 0.0 109.817 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -63.45 -40.02 96.03 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.007 -1.058 . . . . 0.0 110.032 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.418 ' O ' ' OE2' ' B' ' 35' ' ' GLU . 2.7 tm-20 -60.87 -39.95 91.16 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.959 -1.088 . . . . 0.0 109.603 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.444 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.2 mt -61.98 -39.94 85.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.061 -1.025 . . . . 0.0 108.644 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.88 -39.99 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.3 -34.56 78.27 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.581 -0.7 . . . . 0.0 109.839 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.4 m -73.77 -37.59 64.96 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.103 -0.998 . . . . 0.0 110.255 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.94 114.73 13.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.88 -1.137 . . . . 0.0 109.313 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -60.21 -40.08 88.84 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.315 -0.866 . . . . 0.0 110.176 -179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -61.09 -44.44 97.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.164 -0.96 . . . . 0.0 110.123 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.435 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 11.5 m -79.93 -32.42 40.08 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.029 -1.045 . . . . 0.0 110.449 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -68.5 -54.09 19.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.382 -0.824 . . . . 0.0 112.059 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.8 mt -79.94 100.93 8.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.692 -1.255 . . . . 0.0 110.334 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -99.32 -10.85 21.81 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.596 -0.69 . . . . 0.0 109.396 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.87 159.31 43.71 Favored Glycine 0 N--CA 1.494 2.5 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -91.17 -4.34 56.21 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.432 -1.04 . . . . 0.0 110.168 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.94 93.4 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.087 -1.008 . . . . 0.0 109.249 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.464 ' O ' ' CB ' ' B' ' 51' ' ' HIS . 71.0 mtm -115.21 -164.2 0.93 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.521 -0.737 . . . . 0.0 109.836 -179.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.611 ' N ' ' O ' ' A' ' 51' ' ' HIS . 6.1 m80 82.67 111.38 0.06 Allowed 'General case' 0 N--CA 1.504 2.23 0 CA-C-O 121.247 0.546 . . . . 0.0 111.181 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -140.61 -27.65 0.21 Allowed Glycine 0 N--CA 1.497 2.732 0 N-CA-C 109.707 -1.357 . . . . 0.0 109.707 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 52.77 -167.86 0.05 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.25 -1.147 . . . . 0.0 109.306 -179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -105.45 120.03 55.55 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.281 -0.887 . . . . 0.0 109.404 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.496 1.848 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.614 -179.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.461 0.648 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.24 -40.05 94.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.526 -0.734 . . . . 0.0 110.492 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.58 -41.88 95.97 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.011 -1.055 . . . . 0.0 110.423 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.44 -38.59 96.59 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.136 -1.586 . . . . 0.0 109.136 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.78 -40.19 85.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 121.607 -0.937 . . . . 0.0 110.332 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.95 -46.66 88.69 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.764 -178.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -68.55 -41.18 80.15 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 119.309 -0.957 . . . . 0.0 109.204 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -35.73 74.76 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.356 -0.84 . . . . 0.0 109.991 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.16 137.5 58.23 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.11 -0.994 . . . . 0.0 110.015 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.03 -174.96 3.5 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 108.169 -1.048 . . . . 0.0 108.169 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 13' ' ' GLU . 33.9 tt0 -62.6 149.95 41.92 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.179 -0.95 . . . . 0.0 109.843 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.0 t60 -64.14 75.67 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.392 -0.818 . . . . 0.0 109.849 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 11' ' ' GLU . 91.9 mt-10 -90.03 -162.23 0.87 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.477 -0.764 . . . . 0.0 109.847 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.53 -30.04 67.77 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.36 -0.837 . . . . 0.0 109.958 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -59.88 -32.43 70.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.171 -0.956 . . . . 0.0 110.247 -179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.02 -40.29 88.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.77 -1.206 . . . . 0.0 109.348 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.1 p -60.4 -40.58 91.46 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.949 -1.094 . . . . 0.0 108.551 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -98.87 82.81 2.83 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.673 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -70.12 -26.8 64.13 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.186 -0.946 . . . . 0.0 109.486 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' HH11 ' A' ' 20' ' ' ARG . 31.1 mtm-85 -61.42 -40.91 96.16 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.053 -1.029 . . . . 0.0 109.802 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.93 97.22 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.299 -0.875 . . . . 0.0 109.434 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 27.6 ttp -63.87 -40.92 97.68 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.209 -0.932 . . . . 0.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.03 98.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.005 -1.06 . . . . 0.0 109.6 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.63 -40.18 76.7 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.424 -0.798 . . . . 0.0 110.319 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.12 -40.04 92.29 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.129 -0.982 . . . . 0.0 110.092 -179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -99.14 0.3 43.18 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.379 -0.825 . . . . 0.0 109.537 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.42 42.93 31.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.5 -0.75 . . . . 0.0 110.481 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -112.15 150.52 42.58 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.9 Cg_endo -68.7 147.23 69.18 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 121.602 1.535 . . . . 0.0 111.303 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -40.07 -18.77 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.401 2.067 . . . . 0.0 112.478 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 ' N ' ' O ' ' A' ' 29' ' ' PRO . 78.4 t -59.87 -50.18 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.067 -1.02 . . . . 0.0 110.322 -178.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -69.42 -40.21 79.66 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.02 -1.05 . . . . 0.0 109.03 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.92 -40.69 97.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.561 -0.712 . . . . 0.0 109.448 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -60.79 -39.03 87.37 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.262 -0.899 . . . . 0.0 109.531 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -59.9 -42.15 93.22 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.221 -0.925 . . . . 0.0 109.795 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.3 mt -61.59 -40.75 87.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 120.9 -1.125 . . . . 0.0 109.136 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.81 -39.94 84.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.209 -0.932 . . . . 0.0 108.944 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.99 -39.78 90.61 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.474 -0.766 . . . . 0.0 109.911 -179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.5 m -72.24 -37.53 69.12 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.184 -0.948 . . . . 0.0 109.994 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.6 t -75.14 107.65 7.36 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.956 -1.09 . . . . 0.0 109.26 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -60.01 -39.96 87.58 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.373 -0.829 . . . . 0.0 110.395 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -59.93 -40.03 87.51 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.16 -0.962 . . . . 0.0 109.651 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 79.5 m -73.21 -35.4 66.32 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.97 -1.081 . . . . 0.0 109.212 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -79.49 -70.76 0.49 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.506 -0.746 . . . . 0.0 110.592 -178.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.33 136.15 42.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.956 -1.09 . . . . 0.0 109.815 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -86.27 -8.97 57.34 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.285 -0.884 . . . . 0.0 110.261 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.64 161.84 0.4 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 60.61 34.06 20.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.246 -1.15 . . . . 0.0 109.747 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -92.07 -15.05 28.33 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.148 -0.97 . . . . 0.0 110.46 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' B' ' 50' ' ' MET . 59.5 ttm -70.09 -95.86 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.088 -1.007 . . . . 0.0 110.959 -178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -75.24 159.24 31.77 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.082 -1.011 . . . . 0.0 110.776 -178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.35 -127.54 0.89 Allowed Glycine 0 N--CA 1.493 2.467 0 N-CA-C 108.771 -1.731 . . . . 0.0 108.771 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -97.96 119.39 36.5 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.074 -1.251 . . . . 0.0 108.932 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -104.26 126.43 58.94 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.519 -0.738 . . . . 0.0 109.599 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.554 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.421 0.629 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.5 mt -61.53 -40.23 93.9 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.401 -0.812 . . . . 0.0 110.686 -179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -64.69 -41.19 96.21 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.03 -1.044 . . . . 0.0 110.669 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.57 -37.64 94.68 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.092 -1.603 . . . . 0.0 109.092 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -67.27 -39.59 83.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.711 -0.876 . . . . 0.0 110.351 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.66 -46.58 89.79 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.103 -0.998 . . . . 0.0 109.585 -178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -68.37 -41.26 80.87 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.142 -0.974 . . . . 0.0 109.204 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -35.51 74.44 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.527 -0.733 . . . . 0.0 109.943 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -61.3 137.78 58.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.241 -0.912 . . . . 0.0 109.897 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -165.04 -174.76 3.42 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 13' ' ' GLU . 33.9 tt0 -63.12 149.8 44.32 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.202 -0.936 . . . . 0.0 109.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -63.71 76.49 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.466 -0.771 . . . . 0.0 109.711 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' B' ' 11' ' ' GLU . 91.8 mt-10 -91.19 -162.29 0.9 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.386 -0.821 . . . . 0.0 109.81 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -69.62 -29.8 67.38 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.544 -0.722 . . . . 0.0 110.025 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -60.07 -32.88 71.36 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.289 -0.882 . . . . 0.0 110.078 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.98 -40.23 88.42 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.74 -1.225 . . . . 0.0 109.37 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.3 p -60.58 -40.24 91.0 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.919 -1.113 . . . . 0.0 108.8 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -99.08 82.7 2.77 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.472 -0.768 . . . . 0.0 109.393 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.02 -27.37 64.62 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.084 -1.01 . . . . 0.0 109.426 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 31.2 mtm-85 -61.06 -40.77 94.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.258 -0.901 . . . . 0.0 109.634 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.29 -40.4 96.15 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.252 -0.905 . . . . 0.0 109.6 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 28.1 ttp -64.32 -41.12 96.98 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.369 -0.832 . . . . 0.0 109.681 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.35 -40.92 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.029 -1.045 . . . . 0.0 109.49 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.8 t -69.97 -40.1 75.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.488 -0.758 . . . . 0.0 110.314 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -60.97 -40.06 91.96 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.11 -179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -99.23 0.41 43.14 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.271 -0.893 . . . . 0.0 109.442 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 54.37 43.16 30.86 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.473 -0.767 . . . . 0.0 110.478 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 36.4 mt -111.86 150.92 43.05 Favored Pre-proline 0 N--CA 1.498 1.966 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.528 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.8 Cg_endo -68.66 147.31 69.59 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 121.565 1.51 . . . . 0.0 111.3 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -40.27 -18.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.491 1.337 0 C-N-CA 122.3 2.0 . . . . 0.0 112.376 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.6 t -59.85 -50.2 80.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.07 -1.019 . . . . 0.0 110.51 -178.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.23 -40.27 80.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.086 -1.008 . . . . 0.0 108.842 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -40.42 96.55 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.682 -0.636 . . . . 0.0 109.652 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -60.99 -38.68 86.87 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.358 -0.839 . . . . 0.0 109.32 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.5 tm-20 -60.0 -42.12 93.57 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.134 -0.979 . . . . 0.0 109.943 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.7 mt -61.81 -40.61 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 120.848 -1.158 . . . . 0.0 109.074 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -67.03 -40.24 85.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.193 -0.942 . . . . 0.0 109.046 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 38' ' ' ALA . . . -65.9 -39.56 90.73 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.493 -0.755 . . . . 0.0 109.836 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.6 m -71.96 -38.85 69.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.34 -0.85 . . . . 0.0 110.06 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 20.5 t -74.46 108.15 7.05 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.906 -1.121 . . . . 0.0 109.24 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -60.61 -39.61 88.8 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.506 -0.746 . . . . 0.0 110.483 -179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.09 -39.77 87.26 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.049 -1.032 . . . . 0.0 109.593 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 75.1 m -73.71 -34.44 64.82 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.911 -1.118 . . . . 0.0 108.848 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -79.94 -70.73 0.5 Allowed 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.651 -0.656 . . . . 0.0 110.581 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.7 mt -74.54 136.35 42.15 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.939 -1.101 . . . . 0.0 109.725 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -85.96 -9.4 56.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.26 -0.9 . . . . 0.0 110.213 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 63.97 161.26 0.41 Allowed Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 61.08 33.94 19.33 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.383 -1.069 . . . . 0.0 109.626 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.87 -14.8 29.09 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.144 -0.973 . . . . 0.0 110.647 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' MET . 59.9 ttm -70.21 -95.97 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.09 -1.006 . . . . 0.0 110.89 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -74.97 159.38 31.87 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.045 -1.034 . . . . 0.0 110.79 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -162.24 -127.33 0.87 Allowed Glycine 0 N--CA 1.492 2.432 0 N-CA-C 108.593 -1.803 . . . . 0.0 108.593 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -98.24 119.77 37.48 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.312 -1.11 . . . . 0.0 108.825 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 33.8 t -104.67 126.17 59.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.419 -0.801 . . . . 0.0 109.675 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.009 -0.996 . . . . 0.0 109.522 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.384 0.612 . . . . 0.0 109.613 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 62.1 mt -60.47 -40.27 90.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.474 -0.766 . . . . 0.0 110.441 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -61.91 -50.07 73.67 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.074 -1.016 . . . . 0.0 109.439 -179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.86 -36.88 89.39 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 109.193 -1.563 . . . . 0.0 109.193 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 59.0 mt -63.65 -40.11 87.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.249 -1.148 . . . . 0.0 109.735 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.18 -48.33 82.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.057 -1.027 . . . . 0.0 109.667 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -69.9 -39.96 75.9 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 120.888 -1.132 . . . . 0.0 109.175 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.86 -34.17 75.01 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.449 -0.782 . . . . 0.0 109.797 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.15 133.52 55.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.178 -0.951 . . . . 0.0 109.196 -179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -149.52 -164.63 2.07 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.252 -0.905 . . . . 0.0 110.091 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -74.15 154.34 39.14 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.334 -0.854 . . . . 0.0 109.493 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -73.32 67.83 1.02 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.314 -0.866 . . . . 0.0 109.227 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 18.8 tt0 -101.52 -149.52 0.38 Allowed 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.658 -0.651 . . . . 0.0 109.682 -179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 66.7 mmtt -70.05 -32.41 70.52 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.783 . . . . 0.0 109.777 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -59.9 -40.09 87.58 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.409 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -60.42 -40.07 89.7 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.85 -1.156 . . . . 0.0 108.524 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.6 p -64.64 -45.1 88.24 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.121 -0.987 . . . . 0.0 108.901 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -91.95 81.09 5.14 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.176 -0.953 . . . . 0.0 108.818 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 55.7 p-90 -70.03 -26.71 64.17 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.451 -0.78 . . . . 0.0 110.034 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -60.64 -40.32 91.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.001 -1.062 . . . . 0.0 109.956 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.12 88.7 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.288 -0.883 . . . . 0.0 109.489 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.4 ttm -60.55 -43.79 96.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.28 -0.887 . . . . 0.0 109.722 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.56 -44.88 95.22 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.314 -0.866 . . . . 0.0 109.669 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.1 m -67.27 -40.26 86.14 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.506 -0.746 . . . . 0.0 110.591 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -63.0 -40.49 97.92 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.232 -0.917 . . . . 0.0 109.933 -179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.27 4.37 44.14 Favored 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.401 -0.812 . . . . 0.0 109.967 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 52.61 46.49 26.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.279 -0.888 . . . . 0.0 110.433 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 39.2 mt -118.21 150.99 48.64 Favored Pre-proline 0 N--CA 1.506 2.332 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.4 Cg_endo -71.48 151.47 59.2 Favored 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 121.215 1.277 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -41.85 -18.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.076 1.851 . . . . 0.0 112.37 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 76.0 t -60.01 -51.07 77.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 120.926 -1.109 . . . . 0.0 111.066 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.6 t -69.2 -42.55 81.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.714 0 O-C-N 120.874 -1.141 . . . . 0.0 109.534 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.26 -41.42 99.03 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.083 -1.011 . . . . 0.0 109.716 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -61.11 -40.1 92.49 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.249 -0.907 . . . . 0.0 110.301 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -60.07 -39.83 87.4 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.847 -1.158 . . . . 0.0 109.963 -179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' A' ' 22' ' ' MET . 12.1 mt -64.64 -40.19 88.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.887 -1.133 . . . . 0.0 108.252 179.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.64 -40.12 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.432 -0.793 . . . . 0.0 109.07 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.05 -34.23 76.07 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.461 -0.775 . . . . 0.0 109.567 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.1 m -72.38 -38.83 68.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.194 -0.941 . . . . 0.0 109.633 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.0 t -73.65 112.32 9.63 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.228 -0.92 . . . . 0.0 109.304 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -60.3 -40.18 89.6 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.52 -0.737 . . . . 0.0 110.114 -179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.83 -45.09 93.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.29 -0.881 . . . . 0.0 110.164 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.74 -34.67 52.47 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.209 -0.932 . . . . 0.0 109.941 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -78.47 -70.0 0.52 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.321 -0.862 . . . . 0.0 110.432 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.0 mt -69.85 139.64 53.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.148 -0.97 . . . . 0.0 109.593 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -85.74 146.78 26.64 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.87 157.51 48.88 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 119.771 -1.204 . . . . 0.0 110.207 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' ALA . 79.0 mm-40 55.28 62.35 2.51 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.506 -0.996 . . . . 0.0 110.202 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . -49.63 173.95 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.122 -0.986 . . . . 0.0 109.07 179.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.458 ' O ' ' O ' ' B' ' 50' ' ' MET . 62.9 mtt -53.14 136.83 35.19 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -122.82 -8.54 8.39 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.53 -0.731 . . . . 0.0 109.179 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.0 172.14 25.87 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -102.01 134.62 44.94 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.337 -1.096 . . . . 0.0 109.684 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 54' ' ' VAL . 14.1 p -133.19 134.22 57.7 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.971 0 O-C-N 121.381 -0.824 . . . . 0.0 109.02 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 23.9 p-10 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.818 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.412 0.625 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.8 mt -60.45 -40.36 90.87 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.436 -0.79 . . . . 0.0 110.352 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 0.6 OUTLIER -61.73 -50.36 72.73 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.892 -1.13 . . . . 0.0 109.409 -179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.478 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.11 -36.91 84.11 Favored Glycine 0 N--CA 1.489 2.203 0 N-CA-C 109.226 -1.549 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.88 -39.9 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.313 -1.11 . . . . 0.0 109.866 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -60.52 -47.72 84.91 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.098 -1.001 . . . . 0.0 109.981 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -69.86 -40.09 75.98 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.884 -1.135 . . . . 0.0 108.956 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -33.89 73.8 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.507 -0.745 . . . . 0.0 110.075 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -62.78 132.09 51.06 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.122 -0.986 . . . . 0.0 109.151 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -147.73 -165.0 2.14 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.157 -0.964 . . . . 0.0 110.124 -179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -73.84 155.44 38.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.544 -0.722 . . . . 0.0 109.256 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.9 t60 -74.06 68.27 1.38 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.316 -0.865 . . . . 0.0 109.319 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.436 ' HG2' ' H ' ' B' ' 14' ' ' LYS . 20.2 tt0 -101.64 -149.74 0.39 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.46 -0.775 . . . . 0.0 109.554 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.436 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 66.2 mmtt -70.07 -32.15 70.09 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.396 -0.815 . . . . 0.0 109.779 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -59.71 -40.28 87.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.971 -1.081 . . . . 0.0 109.596 -178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.11 -40.23 88.95 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.883 -1.136 . . . . 0.0 108.556 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.2 p -64.17 -45.6 87.7 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.131 -0.981 . . . . 0.0 109.048 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -91.86 81.17 5.19 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.15 -0.969 . . . . 0.0 108.836 179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -70.27 -25.76 63.5 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.328 -0.857 . . . . 0.0 110.307 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.8 mtt-85 -61.23 -40.1 92.76 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.143 -0.973 . . . . 0.0 109.675 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.11 -40.06 88.37 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.461 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.8 ttm -60.93 -44.13 97.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.507 -0.746 . . . . 0.0 109.546 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.432 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.48 -44.8 95.52 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.412 -0.805 . . . . 0.0 109.637 -179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -67.59 -40.03 84.8 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.402 -0.811 . . . . 0.0 110.663 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -63.02 -40.1 96.76 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.169 -0.957 . . . . 0.0 109.846 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.38 4.03 43.63 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.26 -0.9 . . . . 0.0 110.211 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 53.1 45.53 28.53 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.209 -0.932 . . . . 0.0 110.44 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.432 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 39.4 mt -117.31 150.77 46.98 Favored Pre-proline 0 N--CA 1.503 2.219 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.493 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.7 Cg_endo -71.5 150.46 57.68 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 121.372 1.382 . . . . 0.0 111.133 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_exo -41.24 -18.47 0.07 OUTLIER 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.183 1.922 . . . . 0.0 112.372 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.493 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -59.99 -50.86 78.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 120.779 -1.201 . . . . 0.0 110.961 -178.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -68.89 -42.95 82.71 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.673 0 O-C-N 120.953 -1.092 . . . . 0.0 109.329 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.33 99.64 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.058 -1.026 . . . . 0.0 109.636 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 59.2 mmtt -60.84 -39.59 89.64 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.148 -0.97 . . . . 0.0 110.398 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -60.27 -40.04 88.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.864 -1.148 . . . . 0.0 109.514 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.461 HD12 ' SD ' ' B' ' 22' ' ' MET . 10.5 mt -64.06 -40.57 89.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 120.874 -1.141 . . . . 0.0 108.288 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.92 -39.99 87.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.458 -0.777 . . . . 0.0 108.923 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.401 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.46 -33.1 73.59 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.396 -0.815 . . . . 0.0 109.625 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -72.78 -38.9 67.14 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.582 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.5 t -73.7 112.98 10.32 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.245 -0.909 . . . . 0.0 109.367 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -60.49 -40.27 90.71 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.453 -0.779 . . . . 0.0 109.96 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -59.67 -45.47 91.96 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.333 -0.855 . . . . 0.0 110.465 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 37.8 m -77.58 -34.42 53.61 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 109.729 -179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 10.2 tt0 -79.09 -69.73 0.55 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.227 -0.921 . . . . 0.0 110.486 -178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -70.11 139.1 52.46 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.144 -0.973 . . . . 0.0 109.535 -178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -85.22 146.65 26.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.234 -0.917 . . . . 0.0 108.73 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.74 159.15 50.76 Favored Glycine 0 N--CA 1.493 2.449 0 C-N-CA 119.737 -1.22 . . . . 0.0 110.136 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 54.04 61.79 2.89 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.406 -1.055 . . . . 0.0 110.412 179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -49.92 173.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.108 -0.995 . . . . 0.0 109.064 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.458 ' O ' ' O ' ' A' ' 50' ' ' MET . 65.5 mtt -51.94 137.95 25.64 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.986 -1.071 . . . . 0.0 109.446 -179.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 -124.12 -9.08 7.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.506 -0.746 . . . . 0.0 109.033 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 74.81 172.82 30.23 Favored Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.754 -1.338 . . . . 0.0 109.754 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -101.97 133.84 46.12 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.46 -1.024 . . . . 0.0 109.437 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.419 ' O ' HG13 ' B' ' 54' ' ' VAL . 14.9 p -132.57 132.66 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 24.6 p-10 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 117.867 -1.063 . . . . 0.0 109.969 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 55.4 m-85 . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.534 0.683 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.23 -41.7 93.66 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.284 -0.885 . . . . 0.0 110.765 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -65.08 -45.18 86.32 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.035 -1.041 . . . . 0.0 109.983 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.24 -39.91 96.64 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 108.835 -1.706 . . . . 0.0 108.835 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 72.5 mt -67.57 -40.02 83.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.584 -0.951 . . . . 0.0 110.164 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -60.2 -45.53 92.86 Favored 'General case' 0 C--N 1.3 -1.567 0 C-N-CA 119.428 -0.909 . . . . 0.0 110.047 -178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.63 -40.45 76.55 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.032 -1.043 . . . . 0.0 109.066 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.29 -37.09 74.74 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.558 -0.713 . . . . 0.0 110.748 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -60.16 124.37 20.04 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.098 -1.001 . . . . 0.0 110.007 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -149.55 -163.98 1.91 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.438 -0.788 . . . . 0.0 109.467 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 45.3 mt-10 -70.99 152.93 43.08 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.347 -0.846 . . . . 0.0 109.333 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 75.1 t60 -64.47 75.59 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.225 -0.922 . . . . 0.0 110.08 -179.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 43.3 mt-10 -92.58 -169.78 2.3 Favored 'General case' 0 N--CA 1.493 1.69 0 CA-C-O 121.706 0.765 . . . . 0.0 109.719 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.22 -27.22 65.28 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.739 -0.6 . . . . 0.0 109.598 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -58.78 -30.75 67.81 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.208 -0.932 . . . . 0.0 110.075 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 21.7 m170 -60.26 -40.08 89.05 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.696 -1.253 . . . . 0.0 108.783 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.6 p -63.12 -39.76 95.63 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.066 -1.021 . . . . 0.0 109.524 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -91.67 83.1 5.28 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.226 -0.921 . . . . 0.0 109.381 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 35.6 p-90 -69.83 -26.82 64.41 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.05 -1.031 . . . . 0.0 109.672 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.71 -40.59 92.83 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.14 -0.975 . . . . 0.0 109.562 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.67 97.52 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.189 -0.944 . . . . 0.0 109.534 179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.438 ' SD ' HD12 ' A' ' 36' ' ' ILE . 41.3 ttm -62.44 -46.09 90.11 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.367 -0.833 . . . . 0.0 109.754 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.01 -40.37 96.2 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.272 -0.893 . . . . 0.0 108.988 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 46.5 t -68.2 -40.18 82.23 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.277 -0.889 . . . . 0.0 109.504 179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -62.56 -40.32 96.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.016 -1.052 . . . . 0.0 110.495 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.42 -2.78 26.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 121.274 -0.892 . . . . 0.0 110.024 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.5 m-20 53.69 50.1 17.82 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.409 -0.807 . . . . 0.0 110.729 179.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 32.6 mt -118.73 149.54 46.61 Favored Pre-proline 0 N--CA 1.505 2.292 0 O-C-N 121.319 -0.863 . . . . 0.0 109.517 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 51.1 Cg_exo -48.45 140.32 21.36 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.463 1.442 . . . . 0.0 110.99 178.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -44.76 -15.74 0.1 Allowed 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 121.496 1.464 . . . . 0.0 111.599 179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 71.4 t -60.09 -50.69 79.21 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.157 -0.965 . . . . 0.0 110.883 -178.152 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.37 -45.39 96.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.606 0 O-C-N 120.898 -1.126 . . . . 0.0 109.674 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.45 -43.64 96.81 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.159 -0.963 . . . . 0.0 109.944 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt -62.68 -40.25 96.52 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.975 -1.078 . . . . 0.0 110.144 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -62.58 -40.14 95.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.861 -1.149 . . . . 0.0 109.52 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.438 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.2 mt -61.44 -43.69 97.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.041 -1.037 . . . . 0.0 109.314 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.57 -40.37 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.0 68.71 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.444 0.64 . . . . 0.0 109.696 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.2 m -70.68 -39.33 73.59 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.399 -0.813 . . . . 0.0 109.388 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.79 111.59 7.19 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.066 -1.021 . . . . 0.0 108.57 179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -59.85 -40.38 88.37 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.265 -0.897 . . . . 0.0 110.652 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -59.79 -39.24 84.25 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.033 -1.042 . . . . 0.0 109.852 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -74.24 -34.88 63.77 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.142 -0.974 . . . . 0.0 110.093 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -79.55 -71.29 0.46 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.35 -0.844 . . . . 0.0 110.352 -178.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.7 mt -78.19 129.64 35.36 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.205 -0.934 . . . . 0.0 110.148 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -89.0 -6.51 57.17 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.167 -0.958 . . . . 0.0 109.523 179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.96 25.34 75.95 Favored Glycine 0 N--CA 1.498 2.769 0 N-CA-C 110.537 -1.025 . . . . 0.0 110.537 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -84.52 131.39 34.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.28 -1.129 . . . . 0.0 110.345 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -167.82 121.41 0.93 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.081 -1.012 . . . . 0.0 108.884 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.511 ' O ' ' O ' ' B' ' 50' ' ' MET . 62.9 mtt -90.73 121.18 32.4 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.958 -1.089 . . . . 0.0 109.656 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -172.44 156.04 3.62 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.059 -1.026 . . . . 0.0 109.756 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.86 -104.1 2.32 Favored Glycine 0 N--CA 1.504 3.177 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -75.0 155.92 36.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.211 -1.17 . . . . 0.0 109.324 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 65.7 t -99.55 122.54 51.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.338 -0.851 . . . . 0.0 109.693 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.3 t0 . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.998 -179.532 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.463 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 64.6 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.287 0.565 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.17 -42.19 94.45 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.307 -0.871 . . . . 0.0 110.532 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -63.81 -45.79 88.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.136 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.12 -39.52 95.94 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 80.4 mt -67.61 -39.47 82.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.447 0 O-C-N 121.486 -1.008 . . . . 0.0 110.094 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -60.82 -47.11 87.85 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.178 -0.951 . . . . 0.0 109.954 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -69.03 -40.28 78.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.008 -1.057 . . . . 0.0 109.266 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.08 -37.1 75.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.352 -0.842 . . . . 0.0 110.637 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -60.36 125.35 23.36 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.072 -1.017 . . . . 0.0 109.765 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -151.01 -165.18 2.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.44 -0.787 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' B' ' 13' ' ' GLU . 45.4 mt-10 -70.16 151.48 45.37 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.479 -0.763 . . . . 0.0 109.67 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.515 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 73.1 t60 -63.71 74.7 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.284 -0.885 . . . . 0.0 110.025 -179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' B' ' 11' ' ' GLU . 44.2 mt-10 -92.08 -168.63 2.04 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.467 -0.77 . . . . 0.0 109.58 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.83 -26.23 64.13 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.291 0.567 . . . . 0.0 109.848 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -59.22 -31.01 68.66 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.219 -0.926 . . . . 0.0 109.981 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -60.69 -39.47 88.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.702 -1.249 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -63.66 -40.17 96.17 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.038 -1.039 . . . . 0.0 109.359 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -91.46 83.43 5.41 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.37 -0.831 . . . . 0.0 109.228 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 40.0 p-90 -70.39 -26.22 63.61 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.117 -0.989 . . . . 0.0 109.878 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -60.49 -40.46 91.39 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.592 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.7 98.25 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.142 -0.973 . . . . 0.0 109.105 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.443 ' SD ' HD12 ' B' ' 36' ' ' ILE . 43.2 ttm -61.76 -47.25 86.02 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.551 -0.718 . . . . 0.0 109.243 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.4 -40.51 97.4 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.286 -0.966 . . . . 0.0 108.873 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 46.3 t -67.58 -40.63 84.84 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.342 -0.849 . . . . 0.0 109.773 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -62.55 -40.06 95.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.084 -1.01 . . . . 0.0 110.488 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -103.16 -3.89 25.18 Favored 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.171 -0.956 . . . . 0.0 110.038 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.544 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 53.72 49.88 18.29 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.43 -0.794 . . . . 0.0 110.642 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.9 mt -117.97 149.71 45.95 Favored Pre-proline 0 N--CA 1.5 2.065 0 O-C-N 121.282 -0.886 . . . . 0.0 109.431 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.499 ' O ' ' N ' ' B' ' 31' ' ' VAL . 52.0 Cg_exo -47.97 140.02 19.26 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 121.23 1.286 . . . . 0.0 111.127 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -44.89 -15.05 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.477 0 C-N-CA 121.456 1.437 . . . . 0.0 111.534 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.499 ' N ' ' O ' ' B' ' 29' ' ' PRO . 66.2 t -59.77 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.332 -0.855 . . . . 0.0 110.945 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.8 -45.61 94.51 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 120.989 -1.07 . . . . 0.0 109.892 -178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.98 -43.01 97.03 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 121.191 -0.943 . . . . 0.0 110.1 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -62.83 -39.8 95.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.972 -1.08 . . . . 0.0 109.589 -179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -62.24 -40.04 94.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.992 -1.068 . . . . 0.0 109.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.443 HD12 ' SD ' ' B' ' 22' ' ' MET . 83.9 mt -62.7 -41.61 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.008 -1.058 . . . . 0.0 109.433 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 80.4 t -63.64 -40.12 87.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.29 70.72 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.719 -0.613 . . . . 0.0 109.516 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 35.2 m -70.16 -39.32 75.4 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.533 -0.73 . . . . 0.0 109.814 -179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 43.8 t -72.5 112.7 8.79 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.911 -1.118 . . . . 0.0 108.675 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -59.95 -40.03 87.62 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.456 -0.777 . . . . 0.0 110.944 -178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -60.73 -39.4 88.5 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.024 -1.047 . . . . 0.0 109.801 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 88.9 m -73.66 -34.69 65.05 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.058 -1.026 . . . . 0.0 110.158 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.71 -71.57 0.44 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.371 -0.831 . . . . 0.0 110.564 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 55.7 mt -78.64 130.58 36.04 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.182 -0.949 . . . . 0.0 109.648 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -88.9 -8.28 54.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.037 -1.039 . . . . 0.0 109.084 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.77 22.07 78.62 Favored Glycine 0 N--CA 1.498 2.782 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -81.76 133.27 35.32 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.077 -1.249 . . . . 0.0 110.173 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -168.6 124.5 0.96 Allowed 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.511 ' O ' ' O ' ' A' ' 50' ' ' MET . 63.1 mtt -94.48 119.98 34.02 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.84 -1.163 . . . . 0.0 109.561 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -172.38 154.97 3.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.052 -1.03 . . . . 0.0 109.624 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 107.19 -104.76 2.18 Favored Glycine 0 N--CA 1.501 3.017 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -74.32 154.53 38.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.082 -1.246 . . . . 0.0 109.27 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 88.4 t -98.34 123.35 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.05 0 O-C-N 121.035 -1.04 . . . . 0.0 109.47 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.2 t0 . . . . . 0 N--CA 1.493 1.693 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.979 -179.596 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 56.9 mt -60.97 -40.33 92.97 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.457 -0.777 . . . . 0.0 110.267 -179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 23.9 p-10 -65.02 -48.26 74.53 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.137 -0.977 . . . . 0.0 110.601 -179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.408 ' N ' ' CG ' ' A' ' 3' ' ' ASP . . . -55.47 -36.75 64.54 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.297 -1.521 . . . . 0.0 109.297 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.93 -39.83 85.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.654 0 O-C-N 121.422 -1.046 . . . . 0.0 110.067 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -59.9 -47.25 86.54 Favored 'General case' 0 C--N 1.299 -1.601 0 C-N-CA 119.117 -1.033 . . . . 0.0 109.482 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.49 -40.5 76.99 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.099 -1.0 . . . . 0.0 109.494 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.67 75.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.72 -0.613 . . . . 0.0 110.053 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -60.76 141.75 56.63 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.18 -0.95 . . . . 0.0 109.641 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -164.96 -176.9 4.39 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.425 -0.797 . . . . 0.0 109.905 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.33 158.09 12.45 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 110.081 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 71.6 t60 -77.62 73.75 4.19 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.208 -0.932 . . . . 0.0 109.395 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -98.82 -160.86 0.83 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.337 -0.852 . . . . 0.0 109.545 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.37 -26.25 64.57 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.3 -0.875 . . . . 0.0 108.892 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -59.89 -37.95 80.85 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.332 -0.855 . . . . 0.0 108.756 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -60.04 -40.38 89.18 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.769 -1.207 . . . . 0.0 108.851 179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.6 p -61.2 -41.92 97.68 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.056 -1.028 . . . . 0.0 108.814 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -97.79 91.53 5.41 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.384 -0.823 . . . . 0.0 109.195 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 51.8 p-90 -72.91 -24.74 60.86 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.115 -0.991 . . . . 0.0 109.874 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.1 mmm-85 -60.4 -41.94 94.89 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.085 -1.009 . . . . 0.0 109.71 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.13 -49.3 78.2 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.337 -0.852 . . . . 0.0 110.194 -179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.8 ttp -63.09 -41.15 99.34 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.274 -0.891 . . . . 0.0 109.9 -179.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.01 96.46 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.296 -0.877 . . . . 0.0 108.928 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.9 t -69.06 -40.05 78.75 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.448 -0.782 . . . . 0.0 109.715 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -61.26 -40.21 93.24 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.141 -0.974 . . . . 0.0 110.911 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -100.16 3.72 43.97 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.106 -0.996 . . . . 0.0 109.694 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 m120 53.18 44.64 29.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.817 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.8 mt -113.87 151.63 44.92 Favored Pre-proline 0 N--CA 1.501 2.111 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.27 160.01 51.05 Favored 'Trans proline' 0 C--N 1.313 -1.338 0 C-N-CA 121.734 1.623 . . . . 0.0 110.637 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -56.07 -19.33 26.23 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.125 1.883 . . . . 0.0 111.614 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 79.7 t -59.71 -50.76 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 120.866 -1.146 . . . . 0.0 109.948 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -68.49 -45.47 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.537 0 O-C-N 120.907 -1.121 . . . . 0.0 109.116 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.29 -45.16 92.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.552 -0.718 . . . . 0.0 109.709 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.26 -40.04 94.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.045 -1.034 . . . . 0.0 109.833 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.423 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.1 tm-20 -61.08 -42.04 97.77 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.833 -1.167 . . . . 0.0 109.978 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 86.8 mt -64.96 -40.77 90.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.104 -0.997 . . . . 0.0 108.421 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.2 t -62.31 -40.39 87.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 O-C-N 121.549 -0.719 . . . . 0.0 109.076 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.86 -29.99 67.35 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 121.55 -0.719 . . . . 0.0 110.013 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.1 m -71.98 -34.91 69.3 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.114 -0.991 . . . . 0.0 109.803 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.5 t -73.93 114.92 12.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.039 -1.038 . . . . 0.0 109.137 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.251 -0.906 . . . . 0.0 110.485 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.14 -40.57 90.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.136 -0.977 . . . . 0.0 110.125 -179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -78.52 -29.86 46.76 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.075 -1.015 . . . . 0.0 109.825 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -72.6 -76.03 0.13 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.457 -0.777 . . . . 0.0 110.013 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 72.3 mt -72.43 122.38 21.15 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.133 -0.98 . . . . 0.0 108.532 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -88.09 -8.95 54.74 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.088 -1.008 . . . . 0.0 109.476 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.82 -178.9 39.6 Favored Glycine 0 N--CA 1.496 2.66 0 N-CA-C 108.519 -1.832 . . . . 0.0 108.519 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' O ' ' O ' ' A' ' 49' ' ' ALA . 98.2 mt-10 51.01 34.51 10.84 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.94 -1.329 . . . . 0.0 108.4 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.425 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . -60.8 -140.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.62 -0.675 . . . . 0.0 110.448 -178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.559 ' O ' ' O ' ' B' ' 50' ' ' MET . 11.5 tpt -68.81 139.6 55.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.238 -0.913 . . . . 0.0 110.173 -178.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' B' ' 51' ' ' HIS . 96.9 m-70 -79.14 -37.13 39.25 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.824 -1.172 . . . . 0.0 109.077 179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 57.46 -127.96 46.26 Favored Glycine 0 N--CA 1.495 2.609 0 N-CA-C 110.126 -1.189 . . . . 0.0 110.126 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' CD ' ' N ' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -149.41 160.05 43.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -1.147 . . . . 0.0 109.586 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -97.02 139.91 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.447 -0.783 . . . . 0.0 109.456 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 14.5 p-10 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 117.838 -1.077 . . . . 0.0 109.074 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.397 0.618 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.1 mt -60.87 -40.05 91.5 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.401 -0.812 . . . . 0.0 110.163 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 24.4 p-10 -65.64 -47.99 73.72 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.249 -0.907 . . . . 0.0 110.466 -179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.439 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -55.6 -36.72 65.34 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.28 -1.528 . . . . 0.0 109.28 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.89 -39.76 85.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.394 -1.063 . . . . 0.0 110.289 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -59.8 -47.78 84.34 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.152 -0.967 . . . . 0.0 109.44 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.17 -40.9 77.84 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.117 -0.989 . . . . 0.0 109.411 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.84 -36.1 75.3 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.435 -0.791 . . . . 0.0 110.281 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.97 141.57 57.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 109.531 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.03 -176.74 4.29 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.62 0.724 . . . . 0.0 110.197 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -60.64 157.18 15.04 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.387 -0.82 . . . . 0.0 110.036 -179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.456 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.4 t60 -76.38 73.1 3.15 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.335 -0.853 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -98.62 -161.1 0.85 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.43 -0.794 . . . . 0.0 109.789 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -69.26 -26.4 64.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.257 -0.902 . . . . 0.0 109.075 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.46 -38.42 80.73 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.34 -0.85 . . . . 0.0 108.979 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -59.92 -40.04 87.5 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.052 -1.03 . . . . 0.0 108.775 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.7 p -61.6 -41.98 98.22 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.915 -1.116 . . . . 0.0 108.775 179.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -97.5 90.53 5.07 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.368 -0.832 . . . . 0.0 109.357 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.7 p-90 -71.94 -24.92 61.7 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 120.994 -1.066 . . . . 0.0 109.905 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -60.62 -41.34 94.64 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.192 -0.942 . . . . 0.0 109.866 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.72 76.46 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.386 -0.821 . . . . 0.0 110.184 -179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.0 ttp -62.9 -40.72 98.41 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.276 -0.89 . . . . 0.0 109.999 -179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.21 -40.18 93.8 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.24 -0.912 . . . . 0.0 109.121 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.7 t -69.82 -40.07 76.1 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.335 -0.853 . . . . 0.0 109.647 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -60.91 -40.43 93.09 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.405 -0.809 . . . . 0.0 110.794 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -100.24 3.6 43.7 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.131 -0.98 . . . . 0.0 109.531 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 28.1 m120 53.51 44.56 29.71 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.247 -0.908 . . . . 0.0 109.646 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 55.5 mt -114.03 151.45 44.88 Favored Pre-proline 0 N--CA 1.5 2.046 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.91 160.32 50.1 Favored 'Trans proline' 0 C--N 1.311 -1.424 0 C-N-CA 121.66 1.574 . . . . 0.0 110.617 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_endo -56.45 -18.85 26.71 Favored 'Trans proline' 0 C--N 1.301 -1.95 0 C-N-CA 122.095 1.863 . . . . 0.0 111.655 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.19 -50.35 80.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.004 -1.06 . . . . 0.0 109.981 -179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -68.68 -45.17 81.76 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.706 0 O-C-N 121.101 -0.999 . . . . 0.0 108.989 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.11 -44.34 92.55 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.514 -0.741 . . . . 0.0 109.923 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.86 -40.22 96.83 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.17 -0.956 . . . . 0.0 109.873 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.433 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.7 tm-20 -60.78 -41.79 96.27 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.12 -0.987 . . . . 0.0 109.961 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.6 mt -65.63 -39.98 86.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.055 -1.028 . . . . 0.0 108.622 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.58 -40.94 90.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.52 -30.21 68.0 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.461 -0.775 . . . . 0.0 110.074 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.433 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 66.4 m -71.85 -35.17 69.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.0 -1.063 . . . . 0.0 109.804 -179.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -73.31 114.65 11.74 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.129 -0.982 . . . . 0.0 109.029 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.55 -40.53 91.91 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.419 -0.801 . . . . 0.0 110.304 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -60.08 -40.13 88.52 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.069 -1.019 . . . . 0.0 110.32 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.8 m -78.59 -30.23 46.55 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.778 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -72.49 -75.89 0.13 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.341 -0.85 . . . . 0.0 109.853 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.52 122.31 21.11 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 120.963 -1.085 . . . . 0.0 108.724 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -87.99 -8.88 55.02 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.927 -1.108 . . . . 0.0 109.552 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.07 -178.86 39.19 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 108.396 -1.881 . . . . 0.0 108.396 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' B' ' 49' ' ' ALA . 98.4 mt-10 50.94 34.7 10.99 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.001 -1.293 . . . . 0.0 108.291 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' B' ' 48' ' ' GLU . . . -60.88 -140.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 121.357 0.599 . . . . 0.0 110.38 -178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.559 ' O ' ' O ' ' A' ' 50' ' ' MET . 11.1 tpt -68.67 139.55 55.44 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.459 -0.776 . . . . 0.0 110.01 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.436 ' O ' ' O ' ' A' ' 51' ' ' HIS . 96.9 m-70 -79.3 -37.47 37.64 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.894 -1.129 . . . . 0.0 108.754 179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 58.31 -127.66 45.7 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.005 -1.238 . . . . 0.0 110.005 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.475 ' N ' ' CD ' ' B' ' 53' ' ' GLN . 0.3 OUTLIER -149.76 160.16 43.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.468 -1.019 . . . . 0.0 109.456 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 11.9 p -97.69 139.83 19.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.394 -0.816 . . . . 0.0 109.492 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 118.022 -0.989 . . . . 0.0 109.334 179.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.565 0.698 . . . . 0.0 110.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 65.8 mt -60.89 -40.0 91.38 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.381 -0.824 . . . . 0.0 110.513 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -65.27 -39.96 93.29 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.976 -1.078 . . . . 0.0 110.552 -179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.53 -36.73 93.6 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.512 -1.835 . . . . 0.0 108.512 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 9' ' ' GLN . 80.0 mt -67.93 -40.19 82.98 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.451 0 O-C-N 121.588 -0.948 . . . . 0.0 110.241 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -61.0 -44.6 97.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.031 -1.043 . . . . 0.0 109.371 -179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.56 -39.96 77.1 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.119 -0.988 . . . . 0.0 108.507 178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.88 67.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.536 -0.727 . . . . 0.0 109.893 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.5 tt0 -61.35 140.12 58.06 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.193 -0.942 . . . . 0.0 110.01 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.66 166.93 13.69 Favored 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 13' ' ' GLU . 46.1 mt-10 -51.09 148.99 3.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.088 -1.007 . . . . 0.0 110.224 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.9 t60 -63.59 72.58 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.468 -0.77 . . . . 0.0 109.919 -179.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 11' ' ' GLU . 99.1 mt-10 -88.85 -167.61 1.93 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.425 -0.797 . . . . 0.0 109.266 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.06 -24.79 63.3 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.379 -0.826 . . . . 0.0 109.41 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.02 -32.22 70.67 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.293 -0.879 . . . . 0.0 110.148 -179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -60.04 -39.93 87.62 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.591 -1.318 . . . . 0.0 109.035 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.9 p -61.62 -40.57 95.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.062 -1.024 . . . . 0.0 108.885 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.59 82.87 4.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.363 -0.836 . . . . 0.0 108.91 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.99 -26.85 64.27 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.127 -0.983 . . . . 0.0 109.718 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.78 -41.1 94.87 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.211 -0.93 . . . . 0.0 110.29 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.92 99.57 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.189 -0.944 . . . . 0.0 109.718 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 50.1 ttp -65.45 -40.67 93.51 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.263 -0.898 . . . . 0.0 109.632 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.26 96.54 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.052 -1.03 . . . . 0.0 109.392 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.4 m -67.85 -40.34 83.7 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.385 -0.822 . . . . 0.0 110.562 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -61.2 -40.21 93.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.144 -0.973 . . . . 0.0 110.011 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -98.27 0.49 45.77 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.407 -0.808 . . . . 0.0 109.648 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 29.2 m120 53.75 47.84 22.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.477 -0.764 . . . . 0.0 109.799 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 48.9 mt -117.41 151.53 48.2 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.82 160.07 51.17 Favored 'Trans proline' 0 C--N 1.311 -1.4 0 C-N-CA 121.551 1.5 . . . . 0.0 110.716 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -55.15 -17.59 15.45 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.375 2.05 . . . . 0.0 111.907 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.98 -49.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 O-C-N 120.581 -1.324 . . . . 0.0 110.007 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -69.01 -44.71 81.06 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.574 0 O-C-N 120.991 -1.068 . . . . 0.0 109.175 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.79 -42.83 97.64 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.401 -0.812 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -64.22 -39.87 94.87 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.052 -1.03 . . . . 0.0 109.636 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 7.1 tm-20 -61.78 -40.73 96.21 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.002 -1.061 . . . . 0.0 109.93 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -60.83 -40.05 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.026 -1.046 . . . . 0.0 108.346 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.09 -39.96 85.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.46 -30.88 69.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.579 -0.701 . . . . 0.0 109.669 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.439 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 69.5 m -72.27 -39.89 68.03 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.071 -1.018 . . . . 0.0 109.579 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.3 t -75.62 109.78 9.48 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.134 -0.978 . . . . 0.0 108.77 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.19 -39.96 88.37 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.383 -0.823 . . . . 0.0 110.846 -178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -40.02 89.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.161 -0.962 . . . . 0.0 109.959 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.1 m -75.94 -32.26 59.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.101 -1.0 . . . . 0.0 109.857 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -79.5 -70.86 0.48 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.365 -0.835 . . . . 0.0 110.998 -177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -75.98 114.66 14.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.281 -0.887 . . . . 0.0 109.915 -178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.15 -15.72 30.98 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.305 -0.872 . . . . 0.0 108.884 179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.6 72.91 0.83 Allowed Glycine 0 N--CA 1.499 2.853 0 N-CA-C 109.188 -1.565 . . . . 0.0 109.188 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.478 ' CD ' ' N ' ' A' ' 48' ' ' GLU . 5.4 mp0 -89.89 122.94 33.39 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.232 -1.157 . . . . 0.0 109.823 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.12 151.07 20.78 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.439 -0.788 . . . . 0.0 110.17 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.1 ttm -90.0 -77.7 0.39 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.525 -0.734 . . . . 0.0 109.877 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' N ' ' A' ' 52' ' ' GLY . 1.4 t-80 -70.3 127.78 33.95 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.43 -0.794 . . . . 0.0 110.026 -179.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.438 ' N ' ' ND1' ' A' ' 51' ' ' HIS . . . -73.74 -156.77 4.34 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 108.996 -1.641 . . . . 0.0 108.996 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -80.01 156.84 26.97 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.134 -1.215 . . . . 0.0 109.777 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.4 m -96.73 17.85 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.218 -0.926 . . . . 0.0 109.333 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.453 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.541 0.686 . . . . 0.0 110.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.97 -40.08 92.04 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.366 -0.834 . . . . 0.0 110.493 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -65.07 -39.97 94.02 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.996 -1.065 . . . . 0.0 110.541 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.45 -36.86 93.74 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.6 -1.8 . . . . 0.0 108.6 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' B' ' 9' ' ' GLN . 80.2 mt -67.99 -40.07 82.65 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 O-C-N 121.714 -0.874 . . . . 0.0 110.258 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -61.04 -44.79 96.87 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.01 -1.056 . . . . 0.0 109.339 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -69.37 -39.99 77.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.192 -0.943 . . . . 0.0 108.492 179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.99 -29.91 67.1 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.533 -0.729 . . . . 0.0 109.882 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -61.44 140.06 58.11 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.329 -0.857 . . . . 0.0 109.997 -178.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -167.64 166.96 13.72 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 13' ' ' GLU . 46.4 mt-10 -51.15 148.64 4.38 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.116 -0.99 . . . . 0.0 110.226 -178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.486 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.0 t60 -63.27 72.29 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.508 -0.745 . . . . 0.0 109.905 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' B' ' 11' ' ' GLU . 99.3 mt-10 -88.42 -167.68 1.96 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.388 -0.82 . . . . 0.0 109.317 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -70.03 -24.83 63.34 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.355 -0.841 . . . . 0.0 109.385 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -59.96 -32.34 70.73 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.239 -0.913 . . . . 0.0 110.208 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -59.99 -40.08 87.92 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.627 -1.295 . . . . 0.0 108.964 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.6 p -61.64 -40.31 94.44 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.996 -1.065 . . . . 0.0 108.899 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -92.55 82.82 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.317 -0.865 . . . . 0.0 108.785 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 53.9 p-90 -69.96 -26.73 64.25 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.19 -0.944 . . . . 0.0 109.669 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -61.02 -40.95 95.53 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.128 -0.983 . . . . 0.0 110.237 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.92 -42.14 99.69 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.189 -0.945 . . . . 0.0 109.738 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.3 ttp -65.32 -40.62 93.95 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.325 -0.859 . . . . 0.0 109.545 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -42.36 96.37 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.184 -0.947 . . . . 0.0 109.418 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 74.1 m -67.73 -40.44 84.2 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.37 -0.831 . . . . 0.0 110.624 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -61.06 -40.33 93.23 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.149 -0.97 . . . . 0.0 109.981 -179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -98.3 0.64 45.96 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.366 -0.834 . . . . 0.0 109.667 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 29.4 m120 53.75 47.46 23.64 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.478 -0.764 . . . . 0.0 109.925 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 50.6 mt -117.12 151.36 47.57 Favored Pre-proline 0 N--CA 1.498 1.961 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -68.85 160.01 51.46 Favored 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 121.609 1.539 . . . . 0.0 110.781 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_endo -55.09 -17.49 14.86 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.423 2.082 . . . . 0.0 112.042 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -49.9 82.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.525 0 O-C-N 120.705 -1.247 . . . . 0.0 110.011 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -69.36 -44.47 80.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 120.86 -1.15 . . . . 0.0 109.11 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.56 97.1 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.345 -0.847 . . . . 0.0 109.922 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -64.31 -39.96 94.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.981 -1.074 . . . . 0.0 109.686 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.426 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 7.4 tm-20 -61.74 -40.5 95.34 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.102 -0.999 . . . . 0.0 109.904 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.08 -40.02 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.25 -39.88 85.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.534 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.65 -30.88 69.67 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.579 -0.7 . . . . 0.0 109.554 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.426 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 70.9 m -72.24 -39.98 68.07 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.02 -1.05 . . . . 0.0 109.529 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.48 109.82 9.34 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.255 -0.903 . . . . 0.0 108.822 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.11 -40.03 88.26 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.913 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.54 -39.97 89.87 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.08 -1.012 . . . . 0.0 109.927 -178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 61.2 m -75.91 -32.36 59.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.014 -1.054 . . . . 0.0 109.905 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.534 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 -79.4 -70.86 0.48 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.252 -0.905 . . . . 0.0 110.977 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.88 114.38 14.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.233 -0.917 . . . . 0.0 109.958 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -90.05 -15.55 31.54 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.307 -0.871 . . . . 0.0 108.89 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.49 72.94 0.84 Allowed Glycine 0 N--CA 1.499 2.843 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' B' ' 48' ' ' GLU . 5.5 mp0 -89.9 122.9 33.37 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.282 -1.128 . . . . 0.0 109.827 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.61 150.82 20.72 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.572 -0.705 . . . . 0.0 110.228 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.2 ttm -90.03 -77.85 0.38 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.544 -0.722 . . . . 0.0 109.751 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.432 ' ND1' ' N ' ' B' ' 52' ' ' GLY . 1.4 t-80 -70.43 127.72 33.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.307 -0.87 . . . . 0.0 110.221 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.432 ' N ' ' ND1' ' B' ' 51' ' ' HIS . . . -73.62 -156.91 4.3 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.112 -1.595 . . . . 0.0 109.112 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -80.02 156.89 26.93 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.06 -1.259 . . . . 0.0 109.698 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.3 m -97.02 18.07 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.295 -0.878 . . . . 0.0 109.442 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 41.0 t0 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 117.988 -1.005 . . . . 0.0 109.443 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 52.2 m-85 . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 121.497 0.665 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -61.52 -42.07 98.26 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 111.238 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -61.14 -49.49 77.04 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.807 -1.183 . . . . 0.0 110.968 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -34.16 88.16 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 108.968 -1.653 . . . . 0.0 108.968 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.6 mt -68.62 -40.99 82.54 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.47 -1.018 . . . . 0.0 110.224 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -61.62 -50.13 73.82 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.139 -0.975 . . . . 0.0 109.675 -179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -68.56 -40.12 80.76 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.204 -0.935 . . . . 0.0 108.829 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.83 -39.98 76.13 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.471 -0.768 . . . . 0.0 109.924 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 5' ' ' ILE . 30.5 tt0 -61.29 129.95 43.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.297 -0.877 . . . . 0.0 109.209 -179.202 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -151.28 -166.89 2.65 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.528 -0.733 . . . . 0.0 109.334 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 13' ' ' GLU . 58.1 mp0 -70.58 158.79 35.52 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.379 -0.826 . . . . 0.0 108.817 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 73.0 t60 -65.01 70.12 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.271 -0.893 . . . . 0.0 109.657 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' A' ' 11' ' ' GLU . 53.7 mt-10 -85.94 -165.67 1.31 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.474 -0.766 . . . . 0.0 109.374 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.08 -25.94 63.77 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.462 -0.774 . . . . 0.0 109.773 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.82 -35.95 75.79 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.145 -0.972 . . . . 0.0 109.324 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -60.5 -40.4 91.24 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 119.07 -1.052 . . . . 0.0 109.2 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.31 -47.52 83.93 Favored 'General case' 0 C--N 1.302 -1.466 0 C-N-CA 119.03 -1.068 . . . . 0.0 108.748 179.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -92.92 87.11 5.67 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.307 -0.87 . . . . 0.0 109.02 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.6 p-90 -70.9 -29.72 65.86 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.093 -1.004 . . . . 0.0 110.025 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.57 -40.04 90.22 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.139 -0.975 . . . . 0.0 109.561 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.9 -47.17 87.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.179 -0.95 . . . . 0.0 109.819 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -63.18 -40.26 97.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.167 -0.958 . . . . 0.0 109.998 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.43 -42.22 98.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.971 -1.08 . . . . 0.0 109.368 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 68.0 m -67.65 -40.01 84.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.445 -0.784 . . . . 0.0 109.761 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.73 -40.33 91.99 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.484 -0.76 . . . . 0.0 109.8 -179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -101.03 0.72 38.56 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.381 -0.824 . . . . 0.0 110.234 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 32.5 m120 53.51 45.97 27.11 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.127 -0.983 . . . . 0.0 110.057 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 mt -115.45 153.45 47.65 Favored Pre-proline 0 N--CA 1.497 1.923 0 N-CA-C 108.411 -0.959 . . . . 0.0 108.411 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.58 159.43 53.56 Favored 'Trans proline' 0 C--N 1.309 -1.509 0 C-N-CA 121.34 1.36 . . . . 0.0 110.643 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -53.88 -20.64 18.34 Favored 'Trans proline' 0 C--N 1.299 -2.029 0 C-N-CA 122.052 1.835 . . . . 0.0 111.821 -179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.7 t -57.73 -57.61 9.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 120.969 -1.082 . . . . 0.0 109.504 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.8 t -62.65 -48.48 87.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.424 -0.797 . . . . 0.0 109.284 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.28 -49.48 77.42 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.387 -0.821 . . . . 0.0 109.899 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -62.3 -40.41 96.22 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.932 -1.105 . . . . 0.0 109.643 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 6.7 tm-20 -60.49 -40.96 93.24 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.991 -1.068 . . . . 0.0 110.185 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.68 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 120.774 -1.204 . . . . 0.0 108.727 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 33' ' ' ALA . 49.7 t -67.79 -39.39 81.86 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.0 -30.2 69.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.391 -0.818 . . . . 0.0 109.936 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.402 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 57.8 m -71.57 -32.9 68.59 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.123 -0.986 . . . . 0.0 109.285 -179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.3 t -74.36 114.6 12.92 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.236 -0.915 . . . . 0.0 108.629 179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.92 -40.28 92.6 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.259 -0.901 . . . . 0.0 111.142 -178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -60.36 -39.78 88.41 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.281 -0.887 . . . . 0.0 109.888 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.444 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 95.9 m -72.27 -31.34 65.68 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.256 -0.903 . . . . 0.0 110.218 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -79.35 -70.49 0.5 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.468 -178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.61 140.11 49.62 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.179 -0.951 . . . . 0.0 109.094 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -80.1 -32.15 39.15 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.27 -0.894 . . . . 0.0 110.035 -179.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.72 -135.51 3.46 Favored Glycine 0 N--CA 1.488 2.12 0 N-CA-C 109.166 -1.574 . . . . 0.0 109.166 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -61.08 137.31 58.24 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.266 -1.138 . . . . 0.0 109.406 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -106.98 0.1 23.46 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.668 -0.645 . . . . 0.0 110.226 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 86.0 mtp -112.8 9.07 19.01 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.328 -0.858 . . . . 0.0 110.465 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -149.49 159.15 44.54 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.861 -1.149 . . . . 0.0 109.9 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -174.05 -113.21 0.31 Allowed Glycine 0 N--CA 1.488 2.105 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' H ' ' CE ' ' B' ' 50' ' ' MET . 80.7 mt-30 -99.96 12.19 37.42 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.437 -1.037 . . . . 0.0 109.296 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG13 ' O ' ' A' ' 54' ' ' VAL . 7.4 p -91.79 134.45 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.56 -0.712 . . . . 0.0 109.416 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.691 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.468 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.3 m-85 . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 121.41 0.624 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.6 mt -60.46 -42.83 96.99 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.685 -0.634 . . . . 0.0 111.268 -178.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -60.76 -49.77 76.15 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.018 -1.051 . . . . 0.0 111.096 -178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.82 -36.09 92.69 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 109.078 -1.609 . . . . 0.0 109.078 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.1 mt -67.0 -42.02 88.11 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 O-C-N 121.639 -0.918 . . . . 0.0 110.339 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.74 -50.0 75.23 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.102 -0.999 . . . . 0.0 109.627 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -68.71 -39.94 80.23 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.139 -0.976 . . . . 0.0 108.844 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -39.71 75.98 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.538 -0.726 . . . . 0.0 110.029 179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -61.19 129.93 43.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.132 -0.98 . . . . 0.0 109.344 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -151.38 -167.08 2.7 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.274 -0.891 . . . . 0.0 109.507 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' B' ' 13' ' ' GLU . 56.4 mp0 -70.17 157.46 37.58 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.497 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 72.8 t60 -64.29 70.01 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.216 -0.927 . . . . 0.0 109.852 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.2 mt-10 -85.49 -166.33 1.48 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.291 -0.881 . . . . 0.0 109.434 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -70.22 -25.63 63.49 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.463 -0.773 . . . . 0.0 109.629 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -59.52 -36.14 75.52 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.203 -0.936 . . . . 0.0 109.208 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -60.68 -40.24 91.42 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.923 -1.111 . . . . 0.0 108.944 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.7 p -63.29 -45.25 92.31 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.789 -1.194 . . . . 0.0 108.78 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -94.16 86.18 4.89 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.249 -0.907 . . . . 0.0 108.898 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 38.5 p-90 -70.92 -29.13 65.09 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.102 -0.999 . . . . 0.0 109.785 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.47 -40.01 92.99 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.216 -0.928 . . . . 0.0 109.624 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.5 93.96 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.097 -1.002 . . . . 0.0 109.73 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 53.7 ttp -64.2 -40.19 95.55 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.294 -0.878 . . . . 0.0 109.91 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.83 -41.08 97.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.031 -1.043 . . . . 0.0 109.288 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 67.7 m -68.07 -40.2 82.79 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.434 179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.48 -40.82 92.67 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.462 -0.774 . . . . 0.0 110.021 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -101.09 1.22 39.13 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.505 -0.747 . . . . 0.0 110.034 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.1 m120 52.82 47.54 24.44 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.139 -0.975 . . . . 0.0 109.818 179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 49.2 mt -116.52 152.81 48.64 Favored Pre-proline 0 N--CA 1.498 1.967 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -69.06 158.91 56.03 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.364 1.376 . . . . 0.0 110.636 179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.43 -20.69 16.2 Favored 'Trans proline' 0 C--N 1.301 -1.966 0 C-N-CA 122.151 1.901 . . . . 0.0 111.831 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.38 -58.13 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 120.785 -1.197 . . . . 0.0 109.588 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.45 -48.78 86.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 119.668 -0.813 . . . . 0.0 109.379 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.423 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.21 -48.74 80.44 Favored 'General case' 0 C--N 1.3 -1.543 0 O-C-N 121.241 -0.912 . . . . 0.0 109.924 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.3 mttm -63.17 -39.76 95.57 Favored 'General case' 0 N--CA 1.485 1.317 0 O-C-N 120.905 -1.122 . . . . 0.0 109.729 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.61 -41.26 94.44 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.968 -1.082 . . . . 0.0 110.188 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.67 -40.33 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.914 -1.116 . . . . 0.0 108.57 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 33' ' ' ALA . 59.7 t -68.05 -39.8 82.07 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.67 71.09 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 109.851 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 61.7 m -71.25 -33.49 69.87 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.125 -0.984 . . . . 0.0 109.408 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.1 113.97 11.9 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.212 -0.93 . . . . 0.0 108.597 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -60.6 -40.35 91.48 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.33 -0.856 . . . . 0.0 110.783 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -60.33 -39.36 86.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.283 -0.886 . . . . 0.0 109.714 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 94.4 m -72.55 -32.76 66.33 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.24 -0.912 . . . . 0.0 110.113 -179.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -77.74 -70.96 0.44 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.344 -0.847 . . . . 0.0 110.499 -178.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.28 139.92 50.16 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.2 -0.938 . . . . 0.0 109.193 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -80.1 -31.45 39.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 170.72 -136.87 4.14 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.07 137.69 58.04 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.055 -1.262 . . . . 0.0 108.881 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -109.05 1.44 20.51 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.677 -0.639 . . . . 0.0 109.947 -179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.439 ' CE ' ' H ' ' A' ' 53' ' ' GLN . 88.6 mtp -112.4 7.65 19.23 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.378 -0.826 . . . . 0.0 110.18 -179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -149.45 159.28 44.43 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.782 -1.198 . . . . 0.0 109.927 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.79 -113.7 0.32 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -99.11 12.14 36.96 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.264 -1.139 . . . . 0.0 109.307 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.403 ' O ' HG13 ' B' ' 54' ' ' VAL . 8.4 p -91.9 134.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 121.333 -0.854 . . . . 0.0 109.403 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 N--CA 1.492 1.671 0 O-C-N 121.092 -1.005 . . . . 0.0 109.627 -179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 61.4 m-85 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.484 0.659 . . . . 0.0 109.564 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.17 -40.32 93.45 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.529 -0.732 . . . . 0.0 110.171 -179.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -60.13 -47.81 84.33 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.338 -0.851 . . . . 0.0 110.215 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.0 -36.19 92.51 Favored Glycine 0 N--CA 1.49 2.251 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.2 mt -66.75 -40.55 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 121.593 -0.945 . . . . 0.0 110.036 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -59.98 -47.61 85.11 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 120.95 -1.094 . . . . 0.0 109.521 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -69.97 -40.28 75.49 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.157 -0.964 . . . . 0.0 109.801 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.22 70.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.335 -0.853 . . . . 0.0 110.036 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.88 136.13 57.85 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.245 -0.909 . . . . 0.0 109.605 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -171.34 169.66 6.21 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -48.19 170.98 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.906 -1.121 . . . . 0.0 110.007 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.442 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.1 t60 -74.53 67.6 1.52 Allowed 'General case' 0 N--CA 1.492 1.675 0 CA-C-O 122.006 0.908 . . . . 0.0 109.144 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -71.76 173.17 8.56 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -67.53 -23.97 65.5 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.076 -1.015 . . . . 0.0 108.704 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -59.09 -27.18 65.32 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.032 -1.043 . . . . 0.0 109.707 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -59.88 -39.9 86.83 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.868 -1.145 . . . . 0.0 108.882 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.2 p -61.87 -40.24 94.69 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.864 -1.147 . . . . 0.0 109.177 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -94.07 83.17 4.26 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.255 -0.903 . . . . 0.0 109.599 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 54.5 p-90 -71.56 -27.08 62.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.291 -0.881 . . . . 0.0 111.008 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -60.25 -40.43 90.26 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.928 -1.107 . . . . 0.0 110.216 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.81 89.4 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.11 -0.994 . . . . 0.0 109.171 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.2 ttm -60.56 -46.22 91.02 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.424 -0.798 . . . . 0.0 109.625 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.02 -41.26 97.91 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.179 -0.951 . . . . 0.0 109.561 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -68.11 -40.31 82.57 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.5 -0.75 . . . . 0.0 110.157 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -62.55 -40.02 95.49 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.157 -0.965 . . . . 0.0 110.329 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.0 1.7 36.91 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.208 -0.933 . . . . 0.0 110.237 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 54.01 49.32 19.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.033 -1.042 . . . . 0.0 109.064 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 80.8 mt -119.3 151.18 50.77 Favored Pre-proline 0 N--CA 1.501 2.104 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' VAL . 40.4 Cg_endo -68.72 149.69 73.54 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.652 1.568 . . . . 0.0 111.624 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -41.83 -21.77 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.195 1.93 . . . . 0.0 112.696 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -60.02 -50.09 81.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.231 -0.918 . . . . 0.0 111.028 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -67.31 -45.0 86.95 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 C-N-CA 118.698 -1.201 . . . . 0.0 109.471 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.38 -43.3 94.92 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.208 -0.932 . . . . 0.0 110.355 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -65.31 -40.07 93.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.954 -1.091 . . . . 0.0 110.091 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -60.58 -40.9 93.39 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.04 -1.038 . . . . 0.0 109.795 -179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.7 mt -62.33 -40.16 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.396 0 O-C-N 121.1 -1.0 . . . . 0.0 108.609 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 58.6 t -63.18 -39.64 86.03 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.492 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.45 -27.43 65.24 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.665 -0.647 . . . . 0.0 110.323 -179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.8 m -74.69 -32.34 62.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.997 -1.064 . . . . 0.0 110.15 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 52.6 t -75.74 113.2 12.94 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.952 -1.093 . . . . 0.0 108.923 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -61.01 -39.5 89.98 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.295 -0.878 . . . . 0.0 110.339 -179.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -60.45 -39.52 87.82 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.039 -1.038 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.413 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 73.2 m -74.36 -32.42 62.77 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.893 -1.129 . . . . 0.0 109.746 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -75.88 -74.22 0.23 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.213 -0.929 . . . . 0.0 110.436 -178.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.8 mt -75.04 132.08 41.05 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.21 -0.931 . . . . 0.0 109.034 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -89.35 120.4 30.66 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.221 -0.925 . . . . 0.0 109.578 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.94 -148.27 0.44 Allowed Glycine 0 N--CA 1.495 2.594 0 N-CA-C 110.193 -1.163 . . . . 0.0 110.193 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -94.4 134.24 37.13 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.106 -1.232 . . . . 0.0 109.546 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -71.72 146.87 47.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.226 -0.921 . . . . 0.0 109.723 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 21.9 ptp -167.92 143.3 3.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.074 -1.016 . . . . 0.0 109.574 179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -100.33 -90.09 0.33 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.328 -0.857 . . . . 0.0 110.229 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.94 142.1 17.44 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.321 -1.512 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -109.19 119.51 39.72 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.242 -1.152 . . . . 0.0 109.643 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 54' ' ' VAL . 12.4 p -102.71 129.29 54.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.524 -0.735 . . . . 0.0 109.311 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.389 -179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.494 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 58.9 m-85 . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.424 0.631 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 96.5 mt -60.34 -40.46 90.75 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.453 -0.78 . . . . 0.0 110.139 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.01 -49.01 79.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.104 -0.997 . . . . 0.0 110.163 -178.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.19 -36.13 89.81 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 55.5 mt -67.46 -40.35 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.34 -1.094 . . . . 0.0 110.414 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.05 -47.49 85.63 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.828 -1.17 . . . . 0.0 109.197 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.76 -40.39 76.13 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.126 -0.984 . . . . 0.0 109.931 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.09 -31.39 68.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.316 -0.865 . . . . 0.0 109.988 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -62.92 137.09 58.17 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.322 -0.861 . . . . 0.0 109.635 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -172.74 170.03 4.78 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -48.98 171.21 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.965 -1.085 . . . . 0.0 110.079 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.0 t60 -74.47 67.7 1.5 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-O 121.891 0.853 . . . . 0.0 109.192 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.5 tt0 -71.91 173.1 8.78 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.63 -23.56 65.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.043 -1.036 . . . . 0.0 108.644 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -58.71 -27.98 65.39 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.119 -0.988 . . . . 0.0 109.809 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.64 -40.26 87.1 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.8 -1.188 . . . . 0.0 108.822 179.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.3 p -61.47 -40.25 93.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.887 -1.133 . . . . 0.0 109.017 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -94.74 83.09 3.98 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.077 -1.015 . . . . 0.0 109.766 179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -70.94 -27.54 63.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 111.084 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.8 mtp180 -60.67 -40.05 90.65 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.76 -1.212 . . . . 0.0 110.306 -178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.36 -40.06 89.42 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.236 -0.915 . . . . 0.0 108.78 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.2 ttm -60.74 -45.82 92.8 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.449 -0.782 . . . . 0.0 109.971 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.452 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.67 -41.08 98.89 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.182 -0.949 . . . . 0.0 109.481 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -68.59 -39.97 80.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.567 -0.708 . . . . 0.0 110.119 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -62.31 -40.26 95.72 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.24 -0.913 . . . . 0.0 110.367 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -101.78 1.58 37.4 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.258 -0.901 . . . . 0.0 110.216 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 54.61 47.03 23.53 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.93 -1.106 . . . . 0.0 109.304 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.452 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 85.2 mt -117.47 150.8 47.26 Favored Pre-proline 0 N--CA 1.501 2.091 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.3 Cg_endo -69.21 149.23 70.18 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 121.678 1.585 . . . . 0.0 111.803 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -40.92 -21.69 0.11 Allowed 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 122.112 1.875 . . . . 0.0 112.523 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -59.6 -50.51 79.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.017 -1.052 . . . . 0.0 110.939 -178.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -67.67 -44.86 85.75 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.819 -1.176 . . . . 0.0 109.524 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.64 -42.59 95.34 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.043 -1.036 . . . . 0.0 110.551 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -66.14 -39.97 90.24 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.915 -1.115 . . . . 0.0 109.982 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.405 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.4 tm-20 -60.89 -40.26 92.35 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.999 -1.063 . . . . 0.0 109.554 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.64 -39.98 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 120.817 -1.177 . . . . 0.0 108.531 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.2 t -63.34 -40.09 87.74 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.96 -28.13 66.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.699 -0.625 . . . . 0.0 110.352 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.405 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 56.0 m -73.87 -32.68 63.74 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.058 -1.026 . . . . 0.0 110.17 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 53.6 t -75.27 113.17 12.33 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.826 -1.171 . . . . 0.0 108.891 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -60.89 -39.88 90.94 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.85 . . . . 0.0 110.383 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -59.77 -39.92 86.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.208 -0.933 . . . . 0.0 110.224 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.414 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 71.7 m -74.27 -32.93 63.12 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.919 -1.113 . . . . 0.0 109.822 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.04 -73.39 0.27 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.001 -1.062 . . . . 0.0 110.428 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -75.3 130.94 39.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.085 -1.01 . . . . 0.0 109.087 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -89.05 120.86 30.84 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.163 -0.961 . . . . 0.0 109.618 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 42.41 -149.13 0.45 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -94.19 136.03 34.93 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.33 -1.1 . . . . 0.0 109.29 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.72 146.03 46.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.377 -0.827 . . . . 0.0 109.785 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.1 ptp -167.63 143.11 3.93 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.07 -1.018 . . . . 0.0 109.764 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -100.44 -90.1 0.33 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.509 -0.745 . . . . 0.0 110.175 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -88.17 141.5 16.92 Favored Glycine 0 N--CA 1.495 2.578 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -108.23 119.92 40.88 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.325 -1.103 . . . . 0.0 109.632 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.45 HG13 ' O ' ' B' ' 54' ' ' VAL . 12.2 p -103.11 128.03 56.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.452 -0.78 . . . . 0.0 109.304 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.494 1.73 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.221 179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 56.4 m-85 . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 121.344 0.592 . . . . 0.0 109.84 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 mt -60.51 -40.3 90.92 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.382 -0.824 . . . . 0.0 110.737 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -63.86 -53.3 52.8 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.139 -0.976 . . . . 0.0 110.69 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.74 -34.65 83.19 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.515 HD11 HG11 ' B' ' 31' ' ' VAL . 57.3 mt -68.08 -39.93 82.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.505 -0.997 . . . . 0.0 110.017 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.06 -46.8 88.34 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.146 -0.972 . . . . 0.0 109.533 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -68.77 -40.11 79.87 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.026 -1.046 . . . . 0.0 108.881 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.42 -37.37 77.41 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.626 -0.671 . . . . 0.0 109.751 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -60.86 136.97 58.23 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.35 -0.843 . . . . 0.0 109.255 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.92 -169.57 0.9 Allowed 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.341 -0.849 . . . . 0.0 108.909 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLU . 44.5 tt0 -63.62 149.95 45.29 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.438 -0.789 . . . . 0.0 109.884 -179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 67.8 t60 -64.93 77.11 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.433 -0.792 . . . . 0.0 109.596 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.4 mm-40 -88.61 -166.46 1.6 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.492 -0.755 . . . . 0.0 109.693 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.67 64.18 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.497 -0.752 . . . . 0.0 109.265 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -58.81 -34.16 71.2 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.389 -0.819 . . . . 0.0 109.458 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -60.01 -39.95 87.6 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 120.885 -1.134 . . . . 0.0 109.206 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 93.9 p -63.63 -41.83 98.22 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.017 -1.052 . . . . 0.0 108.707 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -94.26 86.48 4.94 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.2 p-90 -70.06 -28.68 65.64 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.286 -0.884 . . . . 0.0 110.16 -179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -61.36 -40.12 93.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.891 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -49.09 78.96 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.241 -0.912 . . . . 0.0 109.954 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.42 -41.6 98.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.208 -0.933 . . . . 0.0 109.616 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -66.54 -40.11 88.94 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.149 -0.97 . . . . 0.0 109.332 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.78 -39.81 76.41 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.437 -0.79 . . . . 0.0 109.468 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -59.96 -41.29 91.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.361 -0.837 . . . . 0.0 109.45 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -99.78 -4.09 31.32 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.333 -0.855 . . . . 0.0 108.759 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 53.38 50.11 18.19 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.594 -0.691 . . . . 0.0 110.598 179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 40.5 mt -116.08 147.05 38.47 Favored Pre-proline 0 N--CA 1.502 2.173 0 O-C-N 121.36 -0.837 . . . . 0.0 108.844 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -45.97 156.19 0.5 Allowed 'Trans proline' 0 N--CA 1.488 1.191 0 C-N-CA 121.247 1.298 . . . . 0.0 110.931 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.42 -18.77 47.94 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 121.893 1.729 . . . . 0.0 110.779 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.403 HG11 HD11 ' B' ' 5' ' ' ILE . 95.1 t -59.98 -50.22 80.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 O-C-N 121.397 -0.815 . . . . 0.0 110.469 -178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -63.97 -49.94 79.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 120.771 -1.205 . . . . 0.0 108.739 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.24 -47.87 82.49 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.448 -0.782 . . . . 0.0 109.683 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.64 -40.05 90.55 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.023 -1.048 . . . . 0.0 109.337 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -59.95 -44.48 94.37 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.339 -0.851 . . . . 0.0 109.744 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.71 -46.62 96.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 121.215 -0.928 . . . . 0.0 108.862 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.3 t -65.62 -40.01 86.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.488 -0.757 . . . . 0.0 109.185 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' B' ' 38' ' ' ALA . . . -69.84 -34.46 73.68 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.443 -0.786 . . . . 0.0 110.235 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.9 m -78.34 -26.16 46.7 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.061 -1.024 . . . . 0.0 109.852 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.46 116.9 12.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.017 -1.052 . . . . 0.0 108.408 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -59.98 -40.04 87.78 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.456 -0.778 . . . . 0.0 110.749 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -60.03 -39.14 84.84 Favored 'General case' 0 C--N 1.3 -1.572 0 O-C-N 121.094 -1.004 . . . . 0.0 109.208 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 56.3 m -76.35 -28.38 56.82 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -72.78 -76.96 0.11 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.439 -0.788 . . . . 0.0 110.553 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.0 mt -72.47 118.35 15.27 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.178 -0.952 . . . . 0.0 109.081 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -89.98 -78.74 0.36 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.103 -0.998 . . . . 0.0 109.456 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.39 -171.86 36.71 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.98 -1.248 . . . . 0.0 109.98 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -79.08 -9.68 59.61 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.362 -1.081 . . . . 0.0 109.576 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . 58.97 30.78 20.66 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.121 -0.987 . . . . 0.0 108.501 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.77 153.18 43.97 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.595 -0.691 . . . . 0.0 109.64 -179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 0.5 OUTLIER -56.39 -34.62 66.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.286 -0.884 . . . . 0.0 109.456 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.96 -116.19 4.2 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -61.38 128.68 37.54 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.241 -1.152 . . . . 0.0 109.036 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.69 -8.03 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.339 -0.851 . . . . 0.0 108.927 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 . . . . . 0 C--N 1.298 -1.644 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.453 -179.885 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.404 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 56.2 m-85 . . . . . 0 N--CA 1.489 1.475 0 CA-C-O 121.4 0.619 . . . . 0.0 109.78 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.9 mt -60.63 -40.17 90.96 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.387 -0.821 . . . . 0.0 110.795 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -64.09 -52.97 56.71 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.163 -0.961 . . . . 0.0 110.624 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.9 -34.76 84.39 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 108.892 -1.683 . . . . 0.0 108.892 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' B' ' 9' ' ' GLN . 58.1 mt -68.05 -39.96 82.33 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 121.652 -0.911 . . . . 0.0 109.973 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -60.01 -46.72 88.57 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.204 -0.935 . . . . 0.0 109.581 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -69.0 -40.17 78.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.015 -1.053 . . . . 0.0 108.784 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.33 -37.38 77.69 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.605 -0.685 . . . . 0.0 109.734 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' B' ' 5' ' ' ILE . 30.0 tt0 -60.73 137.01 58.23 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.321 -0.862 . . . . 0.0 109.327 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -169.91 -169.69 0.91 Allowed 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.335 -0.853 . . . . 0.0 108.838 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' B' ' 13' ' ' GLU . 44.5 tt0 -63.65 150.0 45.25 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.529 -0.732 . . . . 0.0 109.856 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.423 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 67.1 t60 -65.05 77.1 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.536 -0.728 . . . . 0.0 109.601 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.9 mm-40 -88.57 -166.29 1.55 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.485 -0.759 . . . . 0.0 109.655 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.0 -26.61 64.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.469 -0.77 . . . . 0.0 109.256 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -58.9 -34.16 71.35 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.396 -0.815 . . . . 0.0 109.467 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.027 -1.046 . . . . 0.0 109.206 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.8 p -63.52 -41.75 98.49 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.062 -1.024 . . . . 0.0 108.82 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.38 86.4 4.87 Favored 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.7 p-90 -69.97 -28.74 65.79 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.276 -0.89 . . . . 0.0 110.148 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.0 mtp180 -61.41 -39.98 92.7 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.196 -0.94 . . . . 0.0 109.89 -179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.51 -49.04 79.16 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.167 -0.958 . . . . 0.0 109.892 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 52.6 ttp -63.3 -41.53 98.97 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.221 -0.925 . . . . 0.0 109.726 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.531 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -66.53 -40.0 88.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.121 -0.987 . . . . 0.0 109.321 179.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.7 t -69.99 -39.88 75.65 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.408 -0.808 . . . . 0.0 109.471 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -59.98 -41.19 91.45 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.38 -0.825 . . . . 0.0 109.486 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -99.74 -4.08 31.44 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.5 m-20 53.38 49.85 18.78 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.441 -0.787 . . . . 0.0 110.557 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 40.0 mt -115.79 146.98 38.06 Favored Pre-proline 0 N--CA 1.502 2.174 0 O-C-N 121.385 -0.822 . . . . 0.0 108.934 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -45.87 156.0 0.5 Allowed 'Trans proline' 0 N--CA 1.489 1.239 0 C-N-CA 121.375 1.383 . . . . 0.0 110.909 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.35 -18.88 47.97 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 121.915 1.744 . . . . 0.0 110.847 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.515 HG11 HD11 ' A' ' 5' ' ' ILE . 94.1 t -59.97 -50.33 80.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.518 0 O-C-N 121.482 -0.761 . . . . 0.0 110.486 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.7 -50.03 79.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 120.724 -1.235 . . . . 0.0 108.687 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.11 -47.96 82.29 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 109.734 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -60.73 -39.91 90.39 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.144 -0.973 . . . . 0.0 109.224 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -60.01 -44.47 94.55 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.346 -0.846 . . . . 0.0 109.551 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.6 -46.58 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.117 -0.989 . . . . 0.0 108.969 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.1 t -65.63 -40.02 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.359 -0.838 . . . . 0.0 109.194 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.508 ' HB1' ' HB1' ' A' ' 38' ' ' ALA . . . -69.92 -34.3 73.29 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.369 -0.832 . . . . 0.0 110.276 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 66.1 m -78.4 -26.25 46.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.077 -1.014 . . . . 0.0 109.871 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 2.8 t -71.48 116.97 12.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.058 -1.026 . . . . 0.0 108.422 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.03 -40.08 88.09 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.445 -0.784 . . . . 0.0 110.931 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -59.99 -39.05 84.4 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.17 -0.956 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 56.6 m -76.34 -28.7 56.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.264 -0.898 . . . . 0.0 109.483 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -72.33 -77.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.452 -0.78 . . . . 0.0 110.676 -178.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 68.3 mt -72.53 118.36 15.34 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.172 -0.955 . . . . 0.0 109.045 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.04 -78.56 0.36 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.183 -0.948 . . . . 0.0 109.509 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.52 -171.75 36.86 Favored Glycine 0 N--CA 1.491 2.312 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -79.11 -9.85 59.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -1.078 . . . . 0.0 109.61 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.423 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . 59.07 30.84 20.74 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.094 -1.004 . . . . 0.0 108.499 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 15.5 ptm -66.92 153.14 44.28 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.667 -0.646 . . . . 0.0 109.597 -179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.445 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 0.5 OUTLIER -56.3 -34.44 66.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.36 -0.838 . . . . 0.0 109.578 -179.679 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.83 -116.17 4.2 Favored Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 67.1 tt0 -61.32 128.64 37.34 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.208 -1.172 . . . . 0.0 109.023 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 2.7 t -97.57 -8.1 9.23 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.26 -0.9 . . . . 0.0 108.933 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--N 1.299 -1.616 0 CA-C-O 118.065 -0.969 . . . . 0.0 109.531 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 . . . . . 0 N--CA 1.489 1.508 0 CA-C-O 121.216 0.531 . . . . 0.0 109.787 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 90.4 mt -64.79 -40.8 95.82 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.141 -0.975 . . . . 0.0 110.63 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.54 -40.35 92.78 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.928 -1.108 . . . . 0.0 109.986 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.48 -36.83 93.06 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.181 -1.567 . . . . 0.0 109.181 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 76.9 mt -67.49 -40.13 83.82 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.417 -1.049 . . . . 0.0 110.137 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.85 84.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.981 -1.075 . . . . 0.0 110.343 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.3 -40.18 77.84 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.962 -1.086 . . . . 0.0 109.443 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.4 -34.45 74.52 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.492 -0.755 . . . . 0.0 109.441 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -63.7 138.36 58.46 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.372 -0.83 . . . . 0.0 109.432 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 11' ' ' GLU . 40.9 tt0 -169.98 164.33 9.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.339 -0.851 . . . . 0.0 108.836 -179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' GLU . 85.2 mt-10 -40.22 160.19 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.45 -0.781 . . . . 0.0 110.75 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 74.6 t60 -74.4 72.47 1.84 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.505 -0.747 . . . . 0.0 109.85 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -84.88 -172.59 4.26 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.565 -0.709 . . . . 0.0 109.637 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -67.77 -28.28 67.48 Favored 'General case' 0 N--CA 1.49 1.56 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -57.69 -32.06 66.99 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.49 -0.756 . . . . 0.0 109.121 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -60.06 -39.98 87.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.024 -1.048 . . . . 0.0 109.386 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -60.39 -40.71 91.86 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.921 -1.112 . . . . 0.0 109.095 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -99.75 92.38 5.29 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.346 -0.846 . . . . 0.0 109.634 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 60.9 p-90 -73.46 -27.78 61.59 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.098 -1.002 . . . . 0.0 109.988 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.04 -41.03 91.39 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.057 -1.027 . . . . 0.0 110.004 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.15 -44.87 94.65 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.104 -0.998 . . . . 0.0 109.132 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.6 ttp -64.59 -40.52 95.67 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.347 -0.846 . . . . 0.0 109.652 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.57 96.01 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.846 -1.158 . . . . 0.0 109.546 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.7 t -68.29 -40.09 81.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.11 -40.47 89.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.472 -0.768 . . . . 0.0 110.372 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -101.27 0.05 36.63 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.186 -0.946 . . . . 0.0 109.857 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.7 m120 54.51 39.97 31.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.344 -0.848 . . . . 0.0 110.359 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.6 mt -106.89 150.74 40.13 Favored Pre-proline 0 N--CA 1.5 2.047 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.6 Cg_endo -69.24 149.3 70.06 Favored 'Trans proline' 0 C--N 1.311 -1.419 0 C-N-CA 121.35 1.367 . . . . 0.0 111.308 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -40.27 -23.28 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.323 0 C-N-CA 122.176 1.918 . . . . 0.0 112.423 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 92.4 t -57.11 -57.16 11.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.233 -0.917 . . . . 0.0 110.68 -178.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.79 -44.37 98.21 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 O-C-N 121.081 -1.012 . . . . 0.0 109.047 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.61 -48.62 80.09 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.299 -0.876 . . . . 0.0 109.761 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.87 -39.97 93.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.972 -1.08 . . . . 0.0 110.097 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.27 -40.09 92.82 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.939 -1.1 . . . . 0.0 109.526 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -63.93 -40.0 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.8 -40.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 179.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.93 68.74 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.586 -0.696 . . . . 0.0 109.731 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.2 m -72.02 -38.13 69.62 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.151 -0.968 . . . . 0.0 109.75 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.9 t -74.66 113.27 11.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.061 -1.024 . . . . 0.0 108.925 179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -60.71 -40.03 90.76 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.267 -0.895 . . . . 0.0 110.695 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -60.97 -39.99 91.69 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.287 -0.883 . . . . 0.0 110.685 -178.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.53 -33.42 60.71 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.95 -1.094 . . . . 0.0 110.091 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -79.24 -70.14 0.53 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.212 -0.93 . . . . 0.0 110.49 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -72.24 134.21 45.49 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.368 -0.832 . . . . 0.0 109.843 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -92.04 -155.75 0.43 Allowed 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.88 154.03 14.61 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 179.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.77 139.89 56.66 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.099 -1.236 . . . . 0.0 109.644 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 1.029 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -84.41 130.41 34.78 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.298 -0.876 . . . . 0.0 109.169 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -137.31 29.15 2.74 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.338 -0.851 . . . . 0.0 110.121 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.668 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 81.4 t60 49.76 -174.91 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.174 -0.954 . . . . 0.0 109.975 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . -77.64 151.77 38.23 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -93.94 135.95 34.74 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.44 -1.035 . . . . 0.0 109.692 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 54' ' ' VAL . 4.7 m -99.7 138.5 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.361 -0.837 . . . . 0.0 109.463 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.492 1.628 0 CA-C-O 118.077 -0.963 . . . . 0.0 109.421 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.489 1.488 0 CA-C-O 121.221 0.534 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . 0.448 ' O ' ' OD1' ' B' ' 6' ' ' ASP . 90.4 mt -64.62 -40.8 96.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.227 -0.921 . . . . 0.0 110.712 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.49 -40.22 92.82 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.899 -1.126 . . . . 0.0 110.031 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.65 -36.92 92.99 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 108.998 -1.641 . . . . 0.0 108.998 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 76.4 mt -67.26 -40.22 84.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 O-C-N 121.402 -1.058 . . . . 0.0 110.183 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' B' ' 2' ' ' LEU . 3.6 m-20 -60.22 -47.8 84.45 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.968 -1.082 . . . . 0.0 110.307 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.43 -40.18 77.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.961 -1.087 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.32 -34.5 74.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.479 -0.763 . . . . 0.0 109.5 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -63.58 138.43 58.5 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.317 -0.864 . . . . 0.0 109.437 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -170.0 164.47 9.48 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.419 -0.801 . . . . 0.0 108.908 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -40.33 160.13 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -74.28 72.2 1.76 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.468 -0.77 . . . . 0.0 109.85 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -84.59 -172.58 4.25 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.486 -0.759 . . . . 0.0 109.704 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -67.79 -28.3 67.48 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -57.69 -32.05 66.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.569 -0.707 . . . . 0.0 109.126 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -59.98 -40.19 88.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.998 -1.064 . . . . 0.0 109.336 179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.5 p -60.25 -40.75 91.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.937 -1.102 . . . . 0.0 109.165 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -99.9 92.45 5.29 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.391 -0.818 . . . . 0.0 109.514 179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.3 p-90 -73.5 -27.62 61.47 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.059 -1.025 . . . . 0.0 110.02 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtt-85 -60.15 -40.84 91.27 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.07 . . . . 0.0 110.061 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.12 -44.96 94.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.019 -1.051 . . . . 0.0 109.171 179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 59.7 ttp -64.53 -40.58 95.87 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.354 -0.841 . . . . 0.0 109.731 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.5 95.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.879 -1.138 . . . . 0.0 109.587 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 43.8 t -68.41 -40.06 81.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.222 -0.924 . . . . 0.0 109.417 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.18 -40.35 89.68 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.367 -0.833 . . . . 0.0 110.437 -179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -101.43 0.27 36.57 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.269 -0.895 . . . . 0.0 109.77 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.8 m120 54.43 40.02 31.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.4 -0.813 . . . . 0.0 110.438 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 37.2 mt -107.0 150.79 40.25 Favored Pre-proline 0 N--CA 1.498 1.97 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.0 Cg_endo -69.31 149.31 69.58 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 121.339 1.36 . . . . 0.0 111.408 -179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -40.2 -23.41 0.12 Allowed 'Trans proline' 0 C--N 1.313 -1.341 0 C-N-CA 122.164 1.91 . . . . 0.0 112.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' B' ' 29' ' ' PRO . 94.8 t -57.06 -57.16 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.162 -0.962 . . . . 0.0 110.741 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.78 -44.44 98.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.657 0 O-C-N 121.087 -1.008 . . . . 0.0 109.077 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.52 80.53 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.279 -0.888 . . . . 0.0 109.785 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.9 -40.02 93.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.974 -1.079 . . . . 0.0 110.081 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -61.17 -40.13 92.74 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.042 -1.036 . . . . 0.0 109.586 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.2 mt -63.99 -39.93 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.77 -40.0 87.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.482 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.4 -30.09 68.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.593 -0.692 . . . . 0.0 109.684 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 33.2 m -71.81 -38.17 70.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.184 -0.947 . . . . 0.0 109.833 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.7 t -74.66 113.19 11.63 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.921 -1.112 . . . . 0.0 108.912 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.67 -40.09 90.78 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.215 -0.928 . . . . 0.0 110.599 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.4 mtpt -60.95 -40.0 91.65 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.318 -0.864 . . . . 0.0 110.675 -178.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -75.56 -33.5 60.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.935 -1.103 . . . . 0.0 110.007 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -79.05 -70.24 0.52 Allowed 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.195 -0.94 . . . . 0.0 110.48 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.9 mt -72.2 134.16 45.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.383 -0.823 . . . . 0.0 109.942 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 48.5 pttt -91.97 -155.63 0.42 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.318 -0.864 . . . . 0.0 108.878 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.98 154.22 14.71 Favored Glycine 0 N--CA 1.488 2.146 0 N-CA-C 108.838 -1.705 . . . . 0.0 108.838 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.96 139.84 56.4 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.109 -1.23 . . . . 0.0 109.651 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 1.029 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -84.36 130.34 34.8 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.257 -0.902 . . . . 0.0 109.157 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 22.3 ptt? -137.15 29.12 2.79 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.358 -0.839 . . . . 0.0 110.171 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.662 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 81.5 t60 49.67 -174.87 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.662 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . -77.54 151.47 38.0 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.723 -1.351 . . . . 0.0 109.723 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -93.62 136.5 33.84 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.334 -1.098 . . . . 0.0 109.618 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.7 m -100.18 138.7 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.478 -0.764 . . . . 0.0 109.313 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 p-10 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 117.926 -1.035 . . . . 0.0 109.498 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 121.493 0.664 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.54 -39.98 93.02 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.542 -0.724 . . . . 0.0 110.437 -178.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.42 -40.76 93.75 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.023 -1.048 . . . . 0.0 110.224 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.78 -38.96 96.07 Favored Glycine 0 N--CA 1.489 2.217 0 N-CA-C 108.879 -1.688 . . . . 0.0 108.879 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.31 -40.11 85.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.691 -0.888 . . . . 0.0 110.331 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -60.02 -42.19 93.81 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.024 -1.048 . . . . 0.0 110.33 -178.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.68 -40.0 76.64 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.89 -1.132 . . . . 0.0 108.661 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.07 -39.66 75.51 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.369 0.604 . . . . 0.0 110.289 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.98 136.11 57.83 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.313 -0.867 . . . . 0.0 109.971 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -158.66 -151.27 0.28 Allowed 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -80.93 157.94 25.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.111 -0.993 . . . . 0.0 109.704 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -78.29 72.88 4.85 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.322 -0.861 . . . . 0.0 108.884 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -100.34 -149.41 0.37 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.478 -0.764 . . . . 0.0 109.848 -179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -69.98 -32.77 71.14 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.456 -0.778 . . . . 0.0 109.838 -179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -60.07 -39.53 86.37 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.368 -0.833 . . . . 0.0 110.023 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -60.11 -39.92 87.9 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 120.789 -1.195 . . . . 0.0 109.212 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -60.53 -42.79 97.2 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.856 -1.153 . . . . 0.0 109.192 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -96.11 88.59 4.89 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.153 -0.967 . . . . 0.0 109.4 179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -69.95 -28.84 65.89 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.962 -1.086 . . . . 0.0 109.416 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -60.5 -40.36 91.08 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.152 -0.968 . . . . 0.0 110.015 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.03 94.67 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.131 -0.98 . . . . 0.0 109.547 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.54 -43.84 96.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.905 . . . . 0.0 109.386 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.44 -41.67 98.9 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.34 -0.85 . . . . 0.0 109.198 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -40.1 80.26 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.289 -0.882 . . . . 0.0 109.907 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -60.88 -40.28 92.42 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.357 -0.839 . . . . 0.0 110.491 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -101.45 -0.63 34.92 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.386 -0.821 . . . . 0.0 110.178 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 56.36 41.44 29.01 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.534 -0.729 . . . . 0.0 110.049 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 43.1 mt -113.27 151.04 43.98 Favored Pre-proline 0 N--CA 1.501 2.12 0 N-CA-C 107.88 -1.156 . . . . 0.0 107.88 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.1 Cg_endo -69.67 150.11 68.3 Favored 'Trans proline' 0 N--CA 1.494 1.539 0 C-N-CA 121.605 1.536 . . . . 0.0 111.841 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -41.25 -21.15 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 C-N-CA 122.404 2.069 . . . . 0.0 112.447 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.6 t -60.03 -50.01 81.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.151 -0.968 . . . . 0.0 111.157 -177.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -69.51 -40.44 79.73 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.669 0 O-C-N 120.783 -1.198 . . . . 0.0 109.781 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.45 -39.97 89.17 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.113 -0.992 . . . . 0.0 109.921 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -61.23 -38.79 87.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.098 -1.001 . . . . 0.0 110.13 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.968 -1.082 . . . . 0.0 109.681 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.88 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.864 -1.148 . . . . 0.0 108.516 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.33 -40.06 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.456 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.71 77.16 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.658 -0.651 . . . . 0.0 109.464 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.8 m -72.0 -39.58 69.13 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.214 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.3 t -75.71 106.72 7.43 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 179.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -59.92 -39.73 86.46 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.482 -0.761 . . . . 0.0 110.463 -178.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -59.94 -40.05 87.66 Favored 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.26 -0.9 . . . . 0.0 109.784 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.5 m -75.03 -36.94 61.87 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.768 -1.207 . . . . 0.0 109.812 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.404 HE21 ' CG ' ' B' ' 44' ' ' GLN . 59.3 tt0 -75.79 -75.85 0.17 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.345 -0.847 . . . . 0.0 110.576 -178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.0 139.63 50.58 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.236 -0.915 . . . . 0.0 109.501 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -94.04 -19.02 21.24 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.307 -0.871 . . . . 0.0 109.353 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.72 -11.17 62.59 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.644 -1.382 . . . . 0.0 109.644 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -84.54 -11.64 55.69 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.295 -1.12 . . . . 0.0 109.535 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -64.38 -11.95 37.87 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.162 -0.961 . . . . 0.0 110.357 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.427 ' O ' ' O ' ' B' ' 50' ' ' MET . 68.0 mtt -60.2 -111.23 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.102 -0.999 . . . . 0.0 110.579 -178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.55 130.69 34.71 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.201 -0.937 . . . . 0.0 109.918 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.3 -79.11 1.15 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.233 -1.547 . . . . 0.0 109.233 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -152.34 117.75 5.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.271 -1.135 . . . . 0.0 108.765 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.0 m -105.02 135.86 41.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.37 -0.831 . . . . 0.0 109.704 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.6 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.434 179.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.586 0.708 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.73 -40.05 93.72 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.43 -0.794 . . . . 0.0 110.415 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.4 -40.97 94.08 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.088 -1.008 . . . . 0.0 110.254 -179.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.35 -39.24 95.88 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 108.946 -1.661 . . . . 0.0 108.946 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 79.8 mt -66.21 -39.98 85.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.662 -0.905 . . . . 0.0 110.405 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -59.99 -42.25 93.82 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.036 -1.04 . . . . 0.0 110.324 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.63 -40.0 76.81 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.843 -1.16 . . . . 0.0 108.647 179.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -39.79 75.58 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.677 -0.639 . . . . 0.0 110.289 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.86 136.29 57.92 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.328 -0.857 . . . . 0.0 110.011 -178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -158.97 -151.06 0.26 Allowed 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -80.88 158.24 25.39 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.022 -1.049 . . . . 0.0 109.697 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -78.59 72.6 5.12 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.296 -0.877 . . . . 0.0 108.883 179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -100.29 -149.4 0.37 Allowed 'General case' 0 N--CA 1.499 1.992 0 O-C-N 121.462 -0.774 . . . . 0.0 109.866 -179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -70.05 -32.74 70.99 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.428 -0.795 . . . . 0.0 109.823 -179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -60.03 -39.76 87.0 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.283 -0.886 . . . . 0.0 109.993 -178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -60.0 -40.04 87.83 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.823 -1.173 . . . . 0.0 109.209 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.28 -42.68 95.94 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.841 -1.162 . . . . 0.0 109.199 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -96.31 88.77 4.86 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.128 -0.983 . . . . 0.0 109.282 179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -70.06 -28.58 65.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.956 -1.09 . . . . 0.0 109.393 179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 -60.77 -40.19 91.6 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.238 -0.914 . . . . 0.0 109.966 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.98 94.81 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.102 -0.998 . . . . 0.0 109.532 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -60.55 -43.9 96.73 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.269 -0.894 . . . . 0.0 109.442 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -41.75 98.85 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.265 -0.897 . . . . 0.0 109.247 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -68.67 -39.94 80.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.322 -0.861 . . . . 0.0 110.024 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -61.01 -40.6 94.17 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.538 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.01 -0.78 35.85 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.341 -0.85 . . . . 0.0 110.184 -179.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 56.48 41.45 28.75 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.454 -0.779 . . . . 0.0 109.955 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.24 150.9 43.77 Favored Pre-proline 0 N--CA 1.501 2.09 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.445 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.0 Cg_endo -69.6 150.23 68.9 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.657 1.571 . . . . 0.0 111.819 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -41.35 -21.06 0.11 Allowed 'Trans proline' 0 N--CA 1.492 1.432 0 C-N-CA 122.279 1.986 . . . . 0.0 112.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' B' ' 29' ' ' PRO . 54.4 t -60.01 -50.03 81.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 111.207 -178.178 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.48 -40.71 80.1 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.678 0 O-C-N 120.824 -1.172 . . . . 0.0 109.675 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.27 -40.02 89.83 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.159 -0.963 . . . . 0.0 109.947 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -61.25 -38.62 87.34 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.085 -1.009 . . . . 0.0 110.122 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -60.06 -41.51 92.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.892 -1.13 . . . . 0.0 109.576 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.83 -40.07 87.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 120.875 -1.14 . . . . 0.0 108.477 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.27 -39.96 87.25 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.487 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.62 -37.89 77.0 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.669 -0.645 . . . . 0.0 109.513 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.0 m -71.78 -39.66 69.77 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.194 -0.941 . . . . 0.0 109.252 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.8 t -75.69 106.84 7.47 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 178.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -60.05 -39.78 87.15 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.542 -0.724 . . . . 0.0 110.422 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 33.5 mtmm -60.04 -39.9 87.53 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.178 -0.951 . . . . 0.0 109.781 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 77.0 m -74.99 -37.06 61.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.778 -1.201 . . . . 0.0 109.819 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.487 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 -75.66 -75.95 0.17 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.338 -0.851 . . . . 0.0 110.595 -178.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.2 mt -71.02 139.73 50.58 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 109.471 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -94.13 -18.99 21.2 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.285 -0.884 . . . . 0.0 109.288 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.51 -11.23 61.93 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -84.28 -11.47 56.35 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.268 -1.136 . . . . 0.0 109.499 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -64.46 -12.0 39.24 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.938 . . . . 0.0 110.279 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' MET . 68.0 mtt -60.22 -111.26 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.063 -1.023 . . . . 0.0 110.706 -178.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -84.59 131.17 34.64 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.186 -0.946 . . . . 0.0 109.864 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.73 -79.47 1.16 Allowed Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.121 -1.592 . . . . 0.0 109.121 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -152.06 117.87 5.44 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -1.114 . . . . 0.0 108.789 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.0 m -105.1 136.08 40.42 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.935 0 O-C-N 121.362 -0.836 . . . . 0.0 109.694 -179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.494 1.761 0 CA-C-O 117.999 -1.001 . . . . 0.0 109.437 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 . . . . . 0 N--CA 1.489 1.514 0 CA-C-O 121.597 0.713 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.44 -42.32 95.88 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.53 -0.731 . . . . 0.0 109.965 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 4' ' ' GLY . 1.1 p30 -60.82 -47.77 84.86 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.179 -0.95 . . . . 0.0 110.573 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.472 ' N ' ' OD1' ' A' ' 3' ' ' ASP . . . -58.99 -39.44 94.22 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.9 mt -66.0 -39.82 85.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 O-C-N 121.713 -0.875 . . . . 0.0 110.312 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 6' ' ' ASP . 35.7 t0 -60.27 -48.11 83.14 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.104 -0.998 . . . . 0.0 109.278 -179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -68.12 -40.02 82.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.357 -0.839 . . . . 0.0 109.072 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.12 -30.27 67.41 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.536 -0.727 . . . . 0.0 110.073 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -60.11 140.04 57.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.117 -0.99 . . . . 0.0 109.098 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -168.53 160.22 10.81 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 108.995 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -46.28 162.03 0.05 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.165 -0.96 . . . . 0.0 109.898 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -74.95 79.6 2.17 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.533 -0.729 . . . . 0.0 109.625 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -101.33 -160.17 0.78 Allowed 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.566 -0.709 . . . . 0.0 109.883 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -69.86 -27.91 65.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.439 -0.788 . . . . 0.0 109.495 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -59.92 -38.43 82.31 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.268 -0.895 . . . . 0.0 109.394 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -60.23 -39.81 88.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.727 -1.233 . . . . 0.0 109.066 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -63.82 -41.09 97.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.822 -1.174 . . . . 0.0 109.171 179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -96.06 83.31 3.62 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.253 -0.904 . . . . 0.0 109.003 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -70.13 -27.96 64.99 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.183 -0.948 . . . . 0.0 109.877 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.47 -40.58 91.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.996 -1.065 . . . . 0.0 109.813 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.37 97.02 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.147 -0.971 . . . . 0.0 109.819 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 40.9 ttp -60.91 -41.3 95.84 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.306 -0.871 . . . . 0.0 109.74 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.04 -43.48 95.4 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.349 -0.844 . . . . 0.0 109.721 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.1 t -67.98 -39.81 83.23 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.312 -0.868 . . . . 0.0 110.362 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -60.73 -39.76 89.87 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.264 -0.897 . . . . 0.0 109.892 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -100.71 2.35 41.34 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.636 -0.665 . . . . 0.0 109.615 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 51.75 46.19 26.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.143 -0.973 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 47.5 mt -113.76 150.37 43.26 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' VAL . 44.1 Cg_endo -69.3 149.74 70.18 Favored 'Trans proline' 0 C--N 1.312 -1.386 0 C-N-CA 121.631 1.554 . . . . 0.0 111.218 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -42.86 -17.93 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.065 1.844 . . . . 0.0 112.602 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.6 t -60.29 -50.42 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.896 -178.207 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.9 t -68.5 -42.52 83.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 120.824 -1.172 . . . . 0.0 109.079 179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.93 95.51 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.616 -0.677 . . . . 0.0 109.647 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.55 -40.57 97.26 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.164 -0.96 . . . . 0.0 110.022 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.7 tm-20 -61.33 -40.35 93.91 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.982 -1.074 . . . . 0.0 109.219 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.6 mt -61.43 -41.03 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 O-C-N 121.04 -1.038 . . . . 0.0 108.257 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.36 -40.26 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.476 -0.765 . . . . 0.0 109.076 178.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.09 -30.51 68.83 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.391 -0.818 . . . . 0.0 109.744 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.3 m -72.96 -39.95 65.74 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.249 -0.907 . . . . 0.0 110.267 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 17.5 t -75.52 116.06 15.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.999 -1.063 . . . . 0.0 109.174 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -60.59 -40.12 90.58 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.322 -0.861 . . . . 0.0 110.142 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 35.6 mtpt -60.66 -41.0 94.14 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.157 -0.964 . . . . 0.0 110.286 -179.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 24.3 m -77.86 -28.66 50.1 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.148 -0.97 . . . . 0.0 109.976 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -76.87 -71.85 0.38 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.215 -0.928 . . . . 0.0 110.574 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -70.17 139.77 52.44 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.938 -1.101 . . . . 0.0 109.124 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -86.43 -17.38 34.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.452 -0.78 . . . . 0.0 109.856 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -162.03 -169.04 24.81 Favored Glycine 0 N--CA 1.488 2.121 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.662 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 43.4 tt0 -78.86 -10.6 59.85 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.495 -1.003 . . . . 0.0 109.359 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.662 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 78.5 80.92 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.518 ' HG2' ' H ' ' A' ' 52' ' ' GLY . 55.0 ttp -156.61 115.64 3.41 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.153 -0.967 . . . . 0.0 110.005 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 51' ' ' HIS . 15.5 t-160 -88.29 13.46 11.52 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.507 -0.746 . . . . 0.0 109.627 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.518 ' H ' ' HG2' ' A' ' 50' ' ' MET . . . -43.86 -95.82 0.01 OUTLIER Glycine 0 N--CA 1.494 2.516 0 N-CA-C 110.51 -1.036 . . . . 0.0 110.51 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 59.59 18.99 7.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.151 -1.205 . . . . 0.0 108.454 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -103.03 143.74 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 121.481 -0.762 . . . . 0.0 109.748 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.604 -179.7 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.521 0.677 . . . . 0.0 109.638 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.6 -42.3 96.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.576 -0.703 . . . . 0.0 110.066 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' B' ' 4' ' ' GLY . 1.2 p30 -60.61 -48.76 80.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -0.916 . . . . 0.0 110.537 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.44 ' N ' ' OD1' ' B' ' 3' ' ' ASP . . . -58.57 -39.14 92.83 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 108.784 -1.726 . . . . 0.0 108.784 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' GLN . 74.0 mt -66.18 -39.92 85.62 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.571 0 O-C-N 121.583 -0.951 . . . . 0.0 110.156 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -60.65 -46.56 89.84 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.21 -0.931 . . . . 0.0 109.346 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -68.91 -40.28 79.21 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.222 -0.924 . . . . 0.0 109.131 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -30.01 67.0 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.744 -0.597 . . . . 0.0 110.155 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' ILE . 57.0 tt0 -60.04 138.82 57.78 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.194 -0.941 . . . . 0.0 109.149 -179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -167.47 160.9 13.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.482 -0.761 . . . . 0.0 109.19 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -46.81 162.09 0.05 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.273 -0.892 . . . . 0.0 109.622 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.75 78.32 2.06 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.478 -0.764 . . . . 0.0 109.869 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -100.45 -160.52 0.8 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.458 -0.776 . . . . 0.0 110.079 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -69.48 -27.9 65.61 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -60.19 -38.23 82.66 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.359 -0.838 . . . . 0.0 109.333 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -59.95 -39.92 87.22 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.867 -1.145 . . . . 0.0 109.024 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.5 p -64.55 -40.59 95.85 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.976 -1.077 . . . . 0.0 109.061 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -96.33 83.33 3.54 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.269 -0.895 . . . . 0.0 109.117 179.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -70.0 -28.66 65.69 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.165 -0.96 . . . . 0.0 109.83 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.59 -40.2 90.9 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.174 -0.954 . . . . 0.0 109.764 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -44.06 97.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.083 -1.011 . . . . 0.0 109.769 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 42.2 ttp -61.82 -40.8 96.54 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.206 -0.934 . . . . 0.0 109.821 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.32 -42.86 96.1 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.42 -0.8 . . . . 0.0 109.903 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.6 t -68.15 -40.19 82.43 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.409 -0.807 . . . . 0.0 110.254 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -60.85 -40.05 91.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -0.902 . . . . 0.0 110.116 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -99.65 1.78 43.85 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.389 -0.819 . . . . 0.0 109.401 -179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 52.64 46.92 25.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.278 -0.889 . . . . 0.0 109.888 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 48.1 mt -114.85 149.92 43.23 Favored Pre-proline 0 N--CA 1.5 2.026 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.6 Cg_endo -68.71 149.61 73.53 Favored 'Trans proline' 0 C--N 1.313 -1.328 0 C-N-CA 121.589 1.526 . . . . 0.0 111.169 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -43.15 -17.53 0.1 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.963 1.775 . . . . 0.0 112.476 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.461 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.1 t -60.23 -50.24 81.03 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.866 -1.146 . . . . 0.0 110.824 -178.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.83 -42.98 82.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.004 -1.06 . . . . 0.0 108.798 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -45.69 92.84 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.57 -0.706 . . . . 0.0 109.715 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -62.66 -39.97 95.57 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.989 -1.069 . . . . 0.0 109.822 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.412 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 15.7 tm-20 -61.2 -40.52 94.27 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.884 -1.135 . . . . 0.0 109.128 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -61.52 -40.8 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 120.985 -1.072 . . . . 0.0 108.463 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.42 -39.9 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.449 -0.782 . . . . 0.0 109.208 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.42 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.6 -30.47 68.24 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.445 -0.785 . . . . 0.0 109.713 -179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.412 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 59.9 m -72.37 -39.97 67.66 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.238 -0.914 . . . . 0.0 110.195 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.8 t -76.25 115.6 16.13 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.061 -1.025 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 48.2 m-20 -60.22 -40.36 89.89 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.441 -0.787 . . . . 0.0 110.476 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -60.3 -40.58 91.0 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.105 -0.997 . . . . 0.0 110.189 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 25.9 m -78.63 -29.06 45.71 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.041 -1.037 . . . . 0.0 110.061 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 21.7 tt0 -76.01 -71.81 0.36 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.05 -1.031 . . . . 0.0 110.346 -178.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.87 138.67 52.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.134 -0.979 . . . . 0.0 109.221 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -85.55 -15.24 43.35 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.454 -0.779 . . . . 0.0 109.802 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.17 -170.74 31.48 Favored Glycine 0 N--CA 1.488 2.115 0 N-CA-C 109.663 -1.375 . . . . 0.0 109.663 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.663 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 43.3 tt0 -75.91 -12.3 60.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.511 -0.993 . . . . 0.0 109.763 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 79.04 81.28 0.06 Allowed 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.505 -0.747 . . . . 0.0 109.187 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.485 ' HG2' ' H ' ' B' ' 52' ' ' GLY . 56.4 ttp -156.64 116.58 3.55 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.971 -1.081 . . . . 0.0 110.128 -179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.496 ' CD2' ' O ' ' B' ' 51' ' ' HIS . 16.1 t-160 -88.41 13.45 11.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.373 -0.829 . . . . 0.0 110.109 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.485 ' H ' ' HG2' ' B' ' 50' ' ' MET . . . -44.48 -96.41 0.01 OUTLIER Glycine 0 N--CA 1.493 2.436 0 O-C-N 121.099 -1.0 . . . . 0.0 110.801 -179.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 60.06 19.4 8.58 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.343 -1.092 . . . . 0.0 108.137 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.7 p -102.64 143.3 15.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 121.496 -0.753 . . . . 0.0 109.919 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.0 t0 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 117.929 -1.034 . . . . 0.0 109.5 -179.753 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 121.566 0.698 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 94.6 mt -60.77 -40.42 92.46 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.391 -0.818 . . . . 0.0 109.614 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.24 -51.45 60.82 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.269 -0.895 . . . . 0.0 110.732 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.1 -34.98 67.49 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.681 -1.767 . . . . 0.0 108.681 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 9' ' ' GLN . 68.6 mt -69.33 -40.3 79.97 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.536 -0.979 . . . . 0.0 109.423 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.97 -48.63 80.92 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.181 -0.95 . . . . 0.0 109.898 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -66.8 -40.75 88.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.025 -1.047 . . . . 0.0 108.964 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.7 -36.69 73.39 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.221 -0.924 . . . . 0.0 109.791 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 5' ' ' ILE . 7.5 tt0 -62.96 125.23 23.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.368 -0.832 . . . . 0.0 110.159 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -151.47 -165.39 2.23 Favored 'General case' 0 N--CA 1.499 2.018 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' O ' ' N ' ' A' ' 13' ' ' GLU . 74.4 mm-40 -74.41 157.8 35.01 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.019 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 78.4 t60 -65.04 69.78 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.987 -1.071 . . . . 0.0 110.018 -179.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 11' ' ' GLU . 22.3 tt0 -79.82 -179.92 7.2 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' H ' ' CG ' ' A' ' 13' ' ' GLU . 62.6 mttm -64.17 -26.21 68.42 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.051 -1.031 . . . . 0.0 109.325 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -59.92 -29.86 68.66 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.879 -1.138 . . . . 0.0 109.192 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.83 -37.48 79.31 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 88.1 p -59.75 -46.61 88.62 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.984 -1.073 . . . . 0.0 108.502 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -94.05 87.55 5.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.247 -0.908 . . . . 0.0 108.776 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 59.1 p-90 -69.77 -26.2 64.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.109 -0.994 . . . . 0.0 109.519 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -60.47 -40.26 90.61 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.283 -0.886 . . . . 0.0 109.868 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.34 -40.99 92.68 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.154 -0.966 . . . . 0.0 109.324 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 30.5 ttm -60.49 -45.09 95.06 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.174 -0.954 . . . . 0.0 109.151 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.23 -42.44 99.23 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.398 -0.814 . . . . 0.0 109.359 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.3 t -68.47 -40.32 81.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.261 -0.899 . . . . 0.0 110.131 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.56 -40.05 90.2 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.424 -0.798 . . . . 0.0 110.133 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -101.84 3.05 38.91 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.454 -0.778 . . . . 0.0 109.706 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m120 55.37 42.68 29.9 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.299 -0.876 . . . . 0.0 110.048 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 73.8 mt -112.77 150.36 42.64 Favored Pre-proline 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.501 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -68.93 147.74 68.85 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.771 1.648 . . . . 0.0 111.801 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_exo -40.31 -20.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 122.362 2.041 . . . . 0.0 112.315 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' PRO . 54.8 t -59.76 -50.39 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.451 -0.78 . . . . 0.0 110.695 -178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.3 t -67.86 -42.55 85.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 C-N-CA 119.228 -0.989 . . . . 0.0 109.625 -179.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.39 -40.0 92.91 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.122 -0.986 . . . . 0.0 109.785 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.27 -39.95 92.3 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.18 -0.95 . . . . 0.0 110.192 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.58 -44.0 96.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.088 -1.007 . . . . 0.0 109.571 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.2 mt -62.34 -40.17 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.907 -1.121 . . . . 0.0 108.946 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.63 -39.91 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.53 -39.89 94.6 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.639 -0.663 . . . . 0.0 110.293 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.9 m -71.65 -38.89 70.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.03 -1.044 . . . . 0.0 109.571 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.4 t -75.67 102.87 5.53 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.985 -1.072 . . . . 0.0 108.642 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -60.81 -39.29 88.41 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.84 -0.538 . . . . 0.0 110.595 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -58.7 -35.33 72.45 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.11 -0.994 . . . . 0.0 109.213 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.72 -61.51 1.81 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.3 -0.875 . . . . 0.0 110.826 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.451 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 11.3 tt0 -73.62 -58.98 2.93 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.2 -0.937 . . . . 0.0 111.47 -177.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.7 mt -73.14 137.07 44.94 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.039 -1.038 . . . . 0.0 110.2 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -88.86 150.46 22.88 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.343 -0.848 . . . . 0.0 109.03 179.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.0 -82.99 0.02 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 121.351 -0.843 . . . . 0.0 111.003 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -75.0 118.94 18.52 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.221 -1.164 . . . . 0.0 109.085 -178.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 50' ' ' MET . . . -99.98 100.41 11.3 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.399 -0.813 . . . . 0.0 111.066 -179.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 49' ' ' ALA . 20.8 ttt 39.8 52.22 2.5 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.295 -0.878 . . . . 0.0 111.47 178.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' B' ' 51' ' ' HIS . 54.0 t-80 -60.0 -39.84 87.16 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.88 -1.137 . . . . 0.0 108.974 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.28 159.61 9.95 Favored Glycine 0 N--CA 1.501 2.981 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -97.42 8.84 43.82 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.48 -1.011 . . . . 0.0 109.405 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 54' ' ' VAL . 23.1 m -99.81 129.0 51.09 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.572 -0.705 . . . . 0.0 109.343 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.409 -179.421 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 121.559 0.695 . . . . 0.0 109.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.22 -40.07 94.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.444 -0.785 . . . . 0.0 109.627 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -65.09 -51.12 63.26 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.465 -0.772 . . . . 0.0 110.51 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.48 -35.66 73.51 Favored Glycine 0 N--CA 1.491 2.361 0 N-CA-C 108.521 -1.831 . . . . 0.0 108.521 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' B' ' 9' ' ' GLN . 68.2 mt -69.03 -40.09 80.42 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.524 0 O-C-N 121.696 -0.885 . . . . 0.0 109.735 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.1 -49.28 78.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.122 -0.986 . . . . 0.0 109.452 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -65.89 -41.6 91.32 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.288 -0.882 . . . . 0.0 109.015 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -35.7 73.47 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.5 -0.75 . . . . 0.0 109.749 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' B' ' 5' ' ' ILE . 7.5 tt0 -63.54 126.07 26.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.052 -1.03 . . . . 0.0 109.591 -178.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -152.04 -166.5 2.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.498 -0.751 . . . . 0.0 109.466 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.541 ' O ' ' N ' ' B' ' 13' ' ' GLU . 73.2 mm-40 -73.1 156.77 38.35 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.336 -0.853 . . . . 0.0 109.008 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 78.4 t60 -64.94 70.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.708 -1.245 . . . . 0.0 109.96 -179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' B' ' 11' ' ' GLU . 19.7 tt0 -80.05 -179.47 7.04 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.462 ' H ' ' CG ' ' B' ' 13' ' ' GLU . 60.7 mttm -64.55 -26.15 68.29 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.173 -0.954 . . . . 0.0 109.307 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -60.16 -29.2 68.51 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.1 -1.0 . . . . 0.0 109.038 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -59.96 -37.97 81.13 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.807 -1.183 . . . . 0.0 108.439 179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -59.46 -47.3 86.03 Favored 'General case' 0 C--N 1.307 -1.272 0 O-C-N 120.946 -1.096 . . . . 0.0 108.725 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -93.84 88.06 5.63 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.048 -1.033 . . . . 0.0 108.823 178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.7 p-90 -70.0 -25.76 63.75 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.192 -0.942 . . . . 0.0 109.427 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -60.84 -39.81 90.49 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.244 -0.91 . . . . 0.0 109.499 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.91 91.76 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 120.986 -1.071 . . . . 0.0 109.097 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -60.39 -45.72 92.55 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.235 -0.916 . . . . 0.0 108.953 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.447 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.91 -42.31 99.74 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.619 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 47.9 t -68.44 -40.42 81.15 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.495 -0.753 . . . . 0.0 110.353 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -60.92 -39.93 91.27 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.357 -0.839 . . . . 0.0 110.246 -179.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -101.76 3.65 39.72 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.498 -0.752 . . . . 0.0 109.745 -179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m120 54.72 43.0 30.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.348 -0.845 . . . . 0.0 110.202 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.447 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 73.3 mt -113.13 150.36 42.84 Favored Pre-proline 0 N--CA 1.499 2.024 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.87 148.17 63.78 Favored 'Trans proline' 0 C--N 1.31 -1.466 0 C-N-CA 121.371 1.381 . . . . 0.0 111.679 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -39.82 -20.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.488 1.159 0 C-N-CA 122.374 2.049 . . . . 0.0 112.296 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 53.3 t -59.58 -50.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.432 0 O-C-N 121.165 -0.96 . . . . 0.0 110.807 -178.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.77 -42.8 86.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 O-C-N 120.939 -1.101 . . . . 0.0 109.285 -179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.17 -40.35 94.18 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.118 -0.989 . . . . 0.0 109.649 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -61.09 -39.81 91.36 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.98 -1.075 . . . . 0.0 110.135 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -60.67 -43.59 97.47 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.005 -1.059 . . . . 0.0 109.936 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.04 -40.1 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.081 -1.012 . . . . 0.0 108.777 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.26 -39.89 85.76 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.72 93.95 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.667 -0.646 . . . . 0.0 110.163 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 51.7 m -71.15 -39.57 71.86 Favored 'General case' 0 C--N 1.299 -1.599 0 C-N-CA 119.497 -0.881 . . . . 0.0 109.667 -179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.7 103.05 5.62 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.096 -1.002 . . . . 0.0 108.452 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.825 -0.547 . . . . 0.0 110.668 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -58.74 -34.97 71.97 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.906 -1.121 . . . . 0.0 109.154 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.5 m -73.82 -61.9 1.68 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.17 -0.956 . . . . 0.0 110.92 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.451 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 52.2 tt0 -74.17 -58.01 3.58 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.089 -1.007 . . . . 0.0 111.678 -177.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.0 136.03 45.04 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.904 -1.122 . . . . 0.0 110.377 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -88.43 149.12 23.86 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.115 -0.99 . . . . 0.0 109.29 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 -84.46 0.01 OUTLIER Glycine 0 N--CA 1.498 2.799 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -74.31 119.59 18.71 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.303 -1.116 . . . . 0.0 109.328 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' B' ' 50' ' ' MET . . . -100.06 101.21 12.22 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.151 -0.968 . . . . 0.0 110.968 -179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.414 ' C ' ' O ' ' B' ' 49' ' ' ALA . 21.4 ttt 39.57 51.92 2.32 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.211 -0.931 . . . . 0.0 111.259 178.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.467 ' O ' ' O ' ' A' ' 51' ' ' HIS . 53.5 t-80 -60.01 -40.37 89.01 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.937 -1.102 . . . . 0.0 109.07 -179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.8 157.97 9.1 Favored Glycine 0 N--CA 1.498 2.821 0 N-CA-C 109.967 -1.253 . . . . 0.0 109.967 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -96.68 9.59 41.18 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.432 -1.04 . . . . 0.0 109.449 179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' O ' HG23 ' B' ' 54' ' ' VAL . 27.8 m -100.48 129.51 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 CA-C-O 121.638 0.732 . . . . 0.0 109.595 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.5 t70 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 117.893 -1.051 . . . . 0.0 109.227 -179.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 121.328 0.585 . . . . 0.0 110.124 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.08 -39.47 86.19 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 110.379 -178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -62.79 -42.21 99.6 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.506 -0.746 . . . . 0.0 110.713 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -38.78 96.64 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 81.9 mt -63.95 -40.57 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.69 -0.888 . . . . 0.0 110.593 -178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -60.24 -47.65 85.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.039 -1.038 . . . . 0.0 109.712 -178.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -68.62 -40.1 80.5 Favored 'General case' 0 C--N 1.296 -1.728 0 C-N-CA 118.777 -1.169 . . . . 0.0 109.239 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.0 -36.44 82.17 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.588 -0.695 . . . . 0.0 110.653 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -64.65 136.27 56.79 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.989 -1.069 . . . . 0.0 109.991 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -162.11 -173.81 3.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -61.58 149.71 38.34 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.01 -1.056 . . . . 0.0 109.086 -179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -67.55 81.96 0.17 Allowed 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 122.019 0.914 . . . . 0.0 108.799 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.3 mt-10 -97.06 -162.63 0.97 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.571 -0.706 . . . . 0.0 109.217 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -68.11 -30.07 69.15 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.942 -1.099 . . . . 0.0 108.712 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -59.77 -35.16 74.06 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.597 -0.689 . . . . 0.0 110.029 -179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -60.57 -40.39 91.48 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.109 -0.994 . . . . 0.0 109.023 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -97.85 90.18 4.85 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -69.71 -28.64 65.99 Favored 'General case' 0 C--N 1.298 -1.64 0 O-C-N 120.707 -1.246 . . . . 0.0 109.026 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -61.18 -40.22 93.11 Favored 'General case' 0 C--N 1.299 -1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.505 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.47 -41.92 99.11 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 120.57 -1.331 . . . . 0.0 109.664 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 45.1 ttp -62.14 -40.23 95.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.847 -1.158 . . . . 0.0 109.623 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -41.25 98.35 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.184 -0.948 . . . . 0.0 109.404 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -70.03 -39.75 75.57 Favored 'General case' 0 C--N 1.296 -1.726 0 O-C-N 121.701 -0.625 . . . . 0.0 110.208 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -61.49 -39.85 92.45 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.12 -0.987 . . . . 0.0 109.66 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -99.6 1.31 43.57 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.538 -0.726 . . . . 0.0 109.69 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 52.64 48.89 21.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.188 -0.945 . . . . 0.0 109.621 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 76.1 mt -117.85 150.2 46.69 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' O ' ' N ' ' A' ' 31' ' ' VAL . 43.8 Cg_endo -70.14 149.07 63.95 Favored 'Trans proline' 0 C--N 1.311 -1.44 0 C-N-CA 121.544 1.496 . . . . 0.0 111.117 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -41.87 -21.04 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.045 1.83 . . . . 0.0 113.016 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 29' ' ' PRO . 53.6 t -59.63 -50.61 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.543 -1.348 . . . . 0.0 110.363 -178.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.4 t -69.06 -40.99 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 C-N-CA 119.002 -1.079 . . . . 0.0 109.039 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.65 98.0 Favored 'General case' 0 C--N 1.301 -1.516 0 C-N-CA 119.485 -0.886 . . . . 0.0 109.974 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 64.3 mmtt -61.91 -39.87 93.49 Favored 'General case' 0 C--N 1.307 -1.266 0 O-C-N 121.121 -0.987 . . . . 0.0 109.891 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.88 -40.53 89.02 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.857 -1.152 . . . . 0.0 110.009 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.9 mt -60.91 -40.22 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 57.5 t -65.46 -39.69 85.95 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -36.55 79.32 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.45 -0.781 . . . . 0.0 108.945 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.5 m -72.5 -40.1 67.11 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.066 -1.021 . . . . 0.0 109.937 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 9.2 t -74.12 111.56 9.41 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 118.911 -1.116 . . . . 0.0 108.385 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -61.62 -40.13 93.76 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.076 -1.015 . . . . 0.0 110.251 -179.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -59.62 -39.8 85.47 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.395 -0.815 . . . . 0.0 109.753 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.4 m -75.75 -33.5 60.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.008 -1.057 . . . . 0.0 109.561 178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -75.07 -78.16 0.11 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.678 -1.264 . . . . 0.0 110.68 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -71.17 121.67 18.77 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.686 -1.259 . . . . 0.0 108.341 179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -90.1 -79.9 0.33 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.997 -1.064 . . . . 0.0 109.961 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.21 148.6 26.94 Favored Glycine 0 N--CA 1.498 2.794 0 N-CA-C 109.905 -1.278 . . . . 0.0 109.905 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -79.86 155.36 27.84 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.002 -1.293 . . . . 0.0 109.431 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -51.31 141.08 15.73 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.058 -1.026 . . . . 0.0 110.142 -179.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' B' ' 50' ' ' MET . 67.0 mtt -82.88 132.87 35.14 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.485 -0.76 . . . . 0.0 109.783 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -157.03 159.43 37.98 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -0.948 . . . . 0.0 109.419 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.45 12.47 84.27 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -79.13 133.63 36.74 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 120.95 -1.323 . . . . 0.0 110.233 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.2 t -141.71 23.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.925 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.0 t0 . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 117.89 -1.052 . . . . 0.0 109.605 179.918 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.25 0.548 . . . . 0.0 109.741 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.9 mt -61.32 -39.93 92.33 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.557 -0.715 . . . . 0.0 110.175 -179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -62.71 -44.25 96.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.549 -0.72 . . . . 0.0 110.109 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.02 -39.76 97.54 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.742 -1.343 . . . . 0.0 109.742 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 83.0 mt -63.85 -39.57 85.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.428 -1.042 . . . . 0.0 110.523 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.72 -49.92 75.87 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 119.557 -0.857 . . . . 0.0 110.258 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -67.19 -39.93 86.46 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.082 -1.011 . . . . 0.0 109.138 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.5 -36.26 80.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.571 -0.705 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -64.91 136.6 57.03 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.657 -1.277 . . . . 0.0 109.451 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -161.99 -172.97 3.46 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 35.7 tt0 -63.44 148.09 49.52 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.27 -0.894 . . . . 0.0 109.194 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -65.38 79.4 0.06 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.376 -0.828 . . . . 0.0 109.294 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 68.2 mt-10 -94.39 -161.66 0.87 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.575 -0.703 . . . . 0.0 109.126 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -68.82 -30.03 68.5 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.51 -0.744 . . . . 0.0 109.439 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -59.77 -35.18 74.09 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.426 -0.796 . . . . 0.0 109.764 -179.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -60.16 -40.45 89.93 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.084 -1.01 . . . . 0.0 109.026 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -61.16 -40.88 95.55 Favored 'General case' 0 C--N 1.302 -1.474 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.451 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -97.74 88.84 4.42 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -69.51 -28.5 66.1 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.156 -0.965 . . . . 0.0 109.095 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.71 -39.75 89.75 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.174 -0.954 . . . . 0.0 109.712 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.3 98.72 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.863 -1.148 . . . . 0.0 109.684 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 46.3 ttp -64.32 -40.88 96.79 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 121.578 0.704 . . . . 0.0 109.36 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.0 -41.21 97.81 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.086 -1.009 . . . . 0.0 109.411 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.6 t -68.55 -39.85 80.9 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.395 -0.816 . . . . 0.0 109.79 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -61.89 -40.03 94.0 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.553 -0.717 . . . . 0.0 109.688 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -99.69 0.52 42.05 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.462 -0.774 . . . . 0.0 109.501 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' B' ' 23' ' ' ALA . 99.2 m-20 53.41 46.74 25.67 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.911 -1.118 . . . . 0.0 109.597 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 65.3 mt -116.56 151.6 47.26 Favored Pre-proline 0 N--CA 1.495 1.791 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.7 Cg_endo -71.24 149.38 57.41 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 121.165 1.244 . . . . 0.0 111.069 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -41.91 -19.95 0.11 Allowed 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 121.902 1.735 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.4 t -59.86 -50.61 79.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 120.598 -1.314 . . . . 0.0 110.71 -178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -69.44 -41.14 80.58 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 119.329 -0.948 . . . . 0.0 108.89 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -43.68 98.11 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.506 -0.746 . . . . 0.0 110.147 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt -61.37 -40.24 93.56 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 120.951 -1.093 . . . . 0.0 109.686 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.21 -41.03 92.14 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.418 -0.801 . . . . 0.0 109.761 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.5 mt -61.62 -40.26 86.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 120.578 -1.327 . . . . 0.0 107.999 179.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.79 -39.89 87.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.362 0 N-CA-C 108.741 -0.837 . . . . 0.0 108.741 178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.66 -38.89 84.41 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.213 -0.929 . . . . 0.0 109.694 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.8 m -70.04 -39.92 75.45 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.047 -1.033 . . . . 0.0 109.992 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.8 t -73.52 109.91 7.4 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.966 -1.084 . . . . 0.0 109.094 179.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -60.41 -40.32 90.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 110.465 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -60.14 -37.59 80.55 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.21 -0.931 . . . . 0.0 110.371 -178.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 39.9 m -79.03 -34.81 43.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.185 -0.947 . . . . 0.0 109.215 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.3 tt0 -73.48 -77.35 0.11 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.772 -1.205 . . . . 0.0 110.002 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 80.5 mt -71.24 121.79 19.04 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.915 -1.116 . . . . 0.0 108.797 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -90.51 -79.26 0.36 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.002 -1.061 . . . . 0.0 110.089 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.62 150.94 30.27 Favored Glycine 0 N--CA 1.499 2.846 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 83.6 mt-10 -81.9 154.96 25.55 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.072 -1.252 . . . . 0.0 109.064 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -50.87 140.31 15.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.095 -1.003 . . . . 0.0 109.912 -179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' MET . 67.4 mtt -83.01 132.48 35.14 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.491 -0.755 . . . . 0.0 110.182 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -157.91 160.42 37.6 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.044 -1.035 . . . . 0.0 110.218 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.34 16.33 80.8 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.279 -1.528 . . . . 0.0 109.279 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -83.6 133.08 34.86 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.021 -1.282 . . . . 0.0 110.386 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -142.26 21.29 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 121.257 -0.902 . . . . 0.0 109.079 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 61.3 t0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.164 179.681 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 N--CA 1.488 1.467 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -57.05 -40.34 76.61 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.361 -0.837 . . . . 0.0 109.646 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -62.43 -44.03 97.39 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.094 -1.004 . . . . 0.0 109.114 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.29 -35.38 91.47 Favored Glycine 0 N--CA 1.492 2.38 0 N-CA-C 109.216 -1.554 . . . . 0.0 109.216 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 9' ' ' GLN . 64.8 mt -65.44 -38.49 82.61 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.52 -0.988 . . . . 0.0 109.61 179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.01 -42.22 93.84 Favored 'General case' 0 C--N 1.301 -1.513 0 O-C-N 121.066 -1.022 . . . . 0.0 109.113 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.99 -41.58 74.21 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.166 -0.959 . . . . 0.0 109.014 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.1 -30.95 67.18 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.523 -0.736 . . . . 0.0 110.432 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -60.07 139.76 57.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.931 . . . . 0.0 109.199 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -167.48 161.11 13.69 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.405 -0.809 . . . . 0.0 109.419 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' N ' ' A' ' 13' ' ' GLU . 34.6 tt0 -43.86 158.81 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.525 -0.734 . . . . 0.0 109.792 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.425 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 77.5 t60 -69.08 73.05 0.28 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 109.523 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' GLU . 98.5 mt-10 -82.93 -176.57 6.39 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.644 -0.66 . . . . 0.0 109.343 179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -67.35 -28.7 68.18 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -57.54 -29.53 64.44 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.513 -0.742 . . . . 0.0 109.218 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -60.03 -39.69 86.78 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.028 -1.045 . . . . 0.0 108.683 178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 94.9 p -59.97 -41.65 92.42 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.117 -0.99 . . . . 0.0 109.024 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.18 91.6 4.83 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.293 -0.879 . . . . 0.0 109.008 178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -71.19 -23.62 62.07 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.104 -0.997 . . . . 0.0 109.82 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HG3' ' A' ' 20' ' ' ARG . 44.2 mtm-85 -60.23 -40.32 89.81 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.094 -1.004 . . . . 0.0 109.659 -179.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.96 -47.45 85.75 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.206 -0.934 . . . . 0.0 109.672 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.5 ttp -63.62 -42.32 98.2 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.287 -0.883 . . . . 0.0 109.647 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.415 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -66.29 -39.98 89.74 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.153 -0.967 . . . . 0.0 109.131 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -69.15 -39.95 78.49 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.364 -0.835 . . . . 0.0 109.361 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.31 -40.07 89.24 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.225 -0.922 . . . . 0.0 109.33 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -99.74 2.4 44.17 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.385 -0.822 . . . . 0.0 109.877 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 52.36 45.18 28.96 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.395 -0.816 . . . . 0.0 109.964 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 52.7 mt -115.3 152.73 47.18 Favored Pre-proline 0 N--CA 1.498 1.956 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.73 160.05 51.17 Favored 'Trans proline' 0 C--N 1.31 -1.478 0 C-N-CA 121.555 1.503 . . . . 0.0 110.443 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -55.96 -17.57 19.58 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.308 2.006 . . . . 0.0 111.821 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.8 -50.0 81.7 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 120.729 -1.232 . . . . 0.0 109.904 -179.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -69.49 -43.57 80.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.759 0 O-C-N 121.031 -1.043 . . . . 0.0 109.15 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.16 86.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.349 -0.844 . . . . 0.0 110.043 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -61.7 -39.78 92.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.976 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -59.96 -40.39 88.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.12 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.75 -39.99 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.054 -1.029 . . . . 0.0 108.534 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.2 t -63.14 -39.99 87.35 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.34 -36.79 85.09 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.768 -0.582 . . . . 0.0 110.4 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.9 m -70.18 -38.55 75.42 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.084 -1.01 . . . . 0.0 109.747 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 10.1 t -75.11 104.09 5.54 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.047 -1.033 . . . . 0.0 108.472 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.05 -37.9 81.2 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.48 -0.762 . . . . 0.0 110.63 -178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.51 -39.34 83.51 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.135 -0.978 . . . . 0.0 109.281 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.8 m -70.3 -56.15 7.45 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.129 -0.982 . . . . 0.0 109.927 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.76 HE22 ' NE2' ' B' ' 44' ' ' GLN . 12.0 tt0 -74.93 -62.02 1.69 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.359 -0.838 . . . . 0.0 110.787 -178.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.6 mt -76.73 73.71 3.39 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.055 -1.028 . . . . 0.0 110.215 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -91.67 -9.31 44.36 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.307 -0.871 . . . . 0.0 109.468 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.39 125.54 8.07 Favored Glycine 0 N--CA 1.495 2.614 0 N-CA-C 110.152 -1.179 . . . . 0.0 110.152 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -81.29 156.45 25.55 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.329 -1.101 . . . . 0.0 109.371 179.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.29 140.11 22.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.161 -0.962 . . . . 0.0 109.051 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.478 ' O ' ' O ' ' B' ' 50' ' ' MET . 25.0 ttt -85.25 107.59 17.36 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.816 -178.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' B' ' 51' ' ' HIS . 44.3 t-80 -64.7 -40.05 94.71 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.366 -0.833 . . . . 0.0 109.459 179.023 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.72 176.55 46.87 Favored Glycine 0 N--CA 1.495 2.577 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -94.89 142.82 27.03 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.211 -1.17 . . . . 0.0 109.337 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -98.46 144.9 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.176 -0.952 . . . . 0.0 109.155 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.612 -179.486 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 77.0 mt -59.95 -40.4 88.88 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.396 -0.815 . . . . 0.0 109.308 -179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -62.46 -43.96 97.55 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.98 . . . . 0.0 109.184 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.4 -35.54 91.52 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.104 -1.598 . . . . 0.0 109.104 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 64.7 mt -65.18 -38.7 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.546 -0.973 . . . . 0.0 109.6 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -59.96 -42.21 93.6 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.036 -1.04 . . . . 0.0 109.148 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.89 -41.8 74.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.119 -0.988 . . . . 0.0 108.963 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.74 -31.2 67.95 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.573 -0.704 . . . . 0.0 110.471 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -59.96 139.52 57.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.205 -0.935 . . . . 0.0 109.32 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -167.24 161.21 14.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.377 -0.827 . . . . 0.0 109.487 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 13' ' ' GLU . 34.2 tt0 -43.8 158.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.494 -0.753 . . . . 0.0 109.805 -179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 77.4 t60 -68.93 73.12 0.26 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.225 -0.922 . . . . 0.0 109.561 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' B' ' 11' ' ' GLU . 98.5 mt-10 -83.06 -176.49 6.36 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.532 -0.73 . . . . 0.0 109.318 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.42 -28.57 68.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.165 -0.959 . . . . 0.0 108.576 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -57.67 -29.49 64.67 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.532 -0.73 . . . . 0.0 109.204 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -59.99 -39.82 87.04 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 108.741 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 95.3 p -60.01 -41.44 92.12 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.138 -0.976 . . . . 0.0 108.969 -179.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -100.25 91.7 4.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.24 -0.913 . . . . 0.0 108.982 178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.4 p-90 -71.35 -23.13 61.85 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.103 -0.998 . . . . 0.0 109.761 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.5 mtm-85 -60.63 -40.25 91.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.075 -1.016 . . . . 0.0 109.725 -179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.64 85.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.139 -0.976 . . . . 0.0 109.501 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 55.8 ttp -63.29 -42.47 99.09 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.354 -0.841 . . . . 0.0 109.701 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -66.3 -40.11 89.79 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.062 -1.024 . . . . 0.0 109.056 179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 44.9 t -68.77 -40.05 79.93 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.372 -0.83 . . . . 0.0 109.387 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.33 -40.06 89.3 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.384 -0.823 . . . . 0.0 109.395 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -99.72 2.58 44.39 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.351 -0.843 . . . . 0.0 109.839 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' B' ' 23' ' ' ALA . 94.5 m-20 52.22 45.19 28.86 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.264 -0.898 . . . . 0.0 109.817 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.421 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 51.9 mt -115.35 152.75 47.25 Favored Pre-proline 0 N--CA 1.498 1.943 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -69.8 160.02 51.24 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 121.543 1.496 . . . . 0.0 110.528 178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.84 -17.45 18.53 Favored 'Trans proline' 0 C--N 1.303 -1.848 0 C-N-CA 122.258 1.972 . . . . 0.0 111.939 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.01 -49.96 81.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.504 0 O-C-N 120.676 -1.265 . . . . 0.0 109.841 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.0 t -69.54 -43.59 80.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.163 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.71 -42.08 86.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.351 -0.843 . . . . 0.0 110.016 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 mmtt -61.77 -39.73 92.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.026 -1.046 . . . . 0.0 109.996 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -59.9 -40.5 89.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.885 -1.134 . . . . 0.0 109.101 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.66 -39.98 87.49 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.085 -1.009 . . . . 0.0 108.536 179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 61.4 t -63.24 -40.03 87.51 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.28 -36.78 85.16 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.653 -0.654 . . . . 0.0 110.323 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 74.7 m -70.32 -38.6 74.94 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.005 -1.06 . . . . 0.0 109.743 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -74.94 104.14 5.42 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.958 -1.089 . . . . 0.0 108.471 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -59.99 -38.06 81.48 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.437 -0.79 . . . . 0.0 110.628 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -59.51 -39.12 82.81 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.328 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 92.9 m -70.47 -56.26 7.02 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.05 -1.031 . . . . 0.0 109.838 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.76 ' NE2' HE22 ' A' ' 44' ' ' GLN . 52.6 tt0 -74.86 -62.08 1.66 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.296 -0.877 . . . . 0.0 110.774 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.2 mt -76.64 73.8 3.33 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.045 -1.035 . . . . 0.0 110.246 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -91.81 -9.28 44.05 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.33 -0.856 . . . . 0.0 109.421 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.45 125.51 8.06 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 110.186 -1.165 . . . . 0.0 110.186 -179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -81.24 156.48 25.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -1.093 . . . . 0.0 109.289 179.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -52.62 140.01 24.37 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.14 -0.975 . . . . 0.0 109.067 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.478 ' O ' ' O ' ' A' ' 50' ' ' MET . 24.9 ttt -85.23 107.45 17.28 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.197 -0.939 . . . . 0.0 110.946 -178.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 51' ' ' HIS . 44.1 t-80 -64.7 -40.01 94.63 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.426 -0.796 . . . . 0.0 109.494 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.48 176.59 47.19 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.817 -1.313 . . . . 0.0 109.817 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -94.82 142.97 26.84 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.177 -1.19 . . . . 0.0 109.29 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 18.0 m -98.59 144.75 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.305 -0.872 . . . . 0.0 109.078 179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.687 -179.522 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 121.559 0.695 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -40.02 95.74 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.455 -0.778 . . . . 0.0 109.921 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.11 -47.78 84.71 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.301 -0.875 . . . . 0.0 110.188 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.2 94.21 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' GLN . 78.5 mt -65.74 -40.01 86.53 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.616 -0.932 . . . . 0.0 110.796 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.96 -49.76 76.43 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 120.88 -1.138 . . . . 0.0 109.365 -178.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 56.1 tttp -67.53 -40.01 85.05 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.302 -0.874 . . . . 0.0 109.071 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.88 -34.23 73.28 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.7 tt0 -60.92 138.41 58.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.394 -0.816 . . . . 0.0 109.668 -178.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' GLU . 71.3 tt0 -170.53 165.24 8.47 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.569 -0.707 . . . . 0.0 109.264 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 10' ' ' GLU . 73.5 mm-40 -44.18 166.56 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.369 -0.832 . . . . 0.0 110.015 -179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -69.31 77.35 0.38 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.238 -0.914 . . . . 0.0 109.751 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -79.99 171.01 15.66 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.64 -0.662 . . . . 0.0 109.265 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.88 -27.57 68.31 Favored 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -57.93 -26.5 62.31 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.474 -0.766 . . . . 0.0 109.04 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -59.96 -40.12 87.97 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.019 -1.051 . . . . 0.0 108.652 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 87.8 p -63.17 -42.93 99.48 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.231 -0.918 . . . . 0.0 108.69 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.35 83.88 3.92 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.365 -0.835 . . . . 0.0 108.875 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.443 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 60.4 p-90 -70.06 -26.97 64.27 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.041 -1.037 . . . . 0.0 109.733 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.443 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 56.5 mtt-85 -60.05 -40.83 90.79 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.971 -1.081 . . . . 0.0 109.661 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -49.03 79.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.121 -0.987 . . . . 0.0 109.273 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.9 ttp -62.54 -42.01 99.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.37 -0.831 . . . . 0.0 109.796 -179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.88 98.15 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.08 -1.012 . . . . 0.0 109.074 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.15 -40.02 78.45 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.453 -0.779 . . . . 0.0 109.533 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.2 -41.37 92.84 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.457 -0.777 . . . . 0.0 110.222 -179.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -100.16 3.43 43.8 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.337 -0.852 . . . . 0.0 109.751 -179.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.75 39.87 31.6 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.559 -0.713 . . . . 0.0 110.276 179.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.73 149.99 40.68 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -69.3 160.47 49.7 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 121.859 1.706 . . . . 0.0 110.897 179.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -54.55 -19.71 18.8 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.502 2.135 . . . . 0.0 111.866 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.2 t -59.76 -51.7 69.69 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.934 -1.104 . . . . 0.0 110.083 -178.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.3 t -68.85 -43.63 82.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.616 0 O-C-N 121.135 -0.978 . . . . 0.0 108.883 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.73 -42.72 95.0 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.372 -0.83 . . . . 0.0 109.813 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.69 -40.01 95.73 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.967 -1.083 . . . . 0.0 110.076 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.88 -41.8 96.7 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.977 -1.077 . . . . 0.0 109.984 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.26 -39.97 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.982 -1.074 . . . . 0.0 108.836 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.15 -39.91 84.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.35 83.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.661 -0.649 . . . . 0.0 110.615 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.6 m -70.99 -34.46 71.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.98 -1.075 . . . . 0.0 109.793 -178.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 42.1 t -74.6 104.34 5.25 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 120.958 -1.089 . . . . 0.0 108.429 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.97 -39.15 84.66 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.563 -0.71 . . . . 0.0 110.368 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -59.91 -38.62 82.83 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.19 -0.944 . . . . 0.0 109.409 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 90.0 m -71.37 -50.03 36.23 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.989 -1.069 . . . . 0.0 110.209 -179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.839 HE22 ' NE2' ' B' ' 44' ' ' GLN . 12.1 tt0 -79.93 -69.94 0.55 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.375 -0.828 . . . . 0.0 110.028 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.0 mt -68.6 130.01 41.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.236 -0.915 . . . . 0.0 109.52 -179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.37 -12.12 35.83 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.294 -0.878 . . . . 0.0 109.395 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.87 -166.18 53.45 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.229 -1.549 . . . . 0.0 109.229 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 51.21 31.66 7.1 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.159 -1.201 . . . . 0.0 109.544 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -91.81 -13.35 31.59 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.214 -0.929 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.603 ' SD ' ' N ' ' A' ' 51' ' ' HIS . 0.0 OUTLIER -63.7 -98.32 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.358 -0.839 . . . . 0.0 109.746 -179.683 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.603 ' N ' ' SD ' ' A' ' 50' ' ' MET . 84.1 t60 -74.54 122.78 23.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 120.908 -1.12 . . . . 0.0 109.426 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.45 -127.34 2.18 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 108.391 -1.884 . . . . 0.0 108.391 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -92.5 103.13 15.57 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.007 -1.29 . . . . 0.0 108.289 179.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.81 130.02 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.693 -0.629 . . . . 0.0 109.763 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.3 t70 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.191 179.831 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.553 0.692 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.81 -39.98 93.67 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.437 -0.789 . . . . 0.0 109.956 -179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -61.14 -47.8 84.57 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.253 -0.905 . . . . 0.0 110.094 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.32 -37.26 94.3 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 -179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.0 mt -65.84 -39.98 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.566 -0.961 . . . . 0.0 110.668 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -59.93 -49.82 76.18 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.92 -1.113 . . . . 0.0 109.367 -178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -67.45 -39.99 85.39 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.412 -0.805 . . . . 0.0 109.118 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -34.05 72.8 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.568 -0.708 . . . . 0.0 109.844 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.96 138.44 58.17 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.413 -0.804 . . . . 0.0 109.651 -179.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 11' ' ' GLU . 71.7 tt0 -170.58 165.16 8.39 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.479 -0.763 . . . . 0.0 109.31 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' B' ' 10' ' ' GLU . 73.8 mm-40 -44.17 166.57 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.275 -0.891 . . . . 0.0 109.899 -179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -69.2 77.3 0.36 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.963 . . . . 0.0 109.738 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.04 170.91 15.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.65 -0.657 . . . . 0.0 109.279 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -65.76 -27.79 68.56 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -57.78 -26.41 61.87 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.435 -0.791 . . . . 0.0 109.062 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -60.02 -40.25 88.65 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.958 -1.088 . . . . 0.0 108.618 179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 87.9 p -62.96 -43.07 99.8 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.219 -0.926 . . . . 0.0 108.657 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -95.34 83.85 3.92 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.404 -0.81 . . . . 0.0 108.89 178.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.449 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 60.5 p-90 -69.99 -27.03 64.37 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.082 -1.011 . . . . 0.0 109.753 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.449 ' NH1' ' CH2' ' B' ' 19' ' ' TRP . 56.0 mtt-85 -60.03 -40.86 90.83 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.059 -1.026 . . . . 0.0 109.664 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -48.89 79.84 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.051 -1.03 . . . . 0.0 109.269 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.61 -42.0 99.32 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.399 -0.813 . . . . 0.0 109.791 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.72 -41.81 98.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.095 -1.003 . . . . 0.0 109.141 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 32.8 t -69.19 -40.05 78.29 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.315 -0.866 . . . . 0.0 109.457 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.317 -0.865 . . . . 0.0 110.418 -179.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -100.05 3.33 44.05 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.237 -0.914 . . . . 0.0 109.868 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 54.77 40.06 31.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.526 -0.733 . . . . 0.0 110.232 179.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 59.3 mt -110.12 149.99 40.86 Favored Pre-proline 0 N--CA 1.499 1.99 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -69.17 160.43 49.89 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 121.9 1.733 . . . . 0.0 110.958 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -54.59 -19.68 18.88 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.488 2.126 . . . . 0.0 111.831 -179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 90.6 t -59.61 -51.95 66.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.021 -1.049 . . . . 0.0 110.176 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 59.4 t -68.72 -43.75 82.77 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.578 0 C-N-CA 119.302 -0.959 . . . . 0.0 108.835 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.72 95.45 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.365 -0.834 . . . . 0.0 109.77 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -63.81 -39.94 95.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.061 -1.024 . . . . 0.0 110.049 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -60.93 -41.61 96.56 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.984 -1.072 . . . . 0.0 110.003 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.9 mt -64.34 -39.98 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.062 -1.024 . . . . 0.0 108.841 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.17 -39.99 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 179.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.46 83.89 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.623 -0.673 . . . . 0.0 110.576 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.4 m -71.0 -34.5 71.43 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.958 -1.089 . . . . 0.0 109.808 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.0 t -74.61 104.35 5.26 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.047 -1.033 . . . . 0.0 108.447 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -59.95 -39.16 84.62 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.599 -0.688 . . . . 0.0 110.411 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -59.86 -38.82 83.23 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.469 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -71.3 -49.91 37.92 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.03 -1.044 . . . . 0.0 110.172 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.839 ' NE2' HE22 ' A' ' 44' ' ' GLN . 53.6 tt0 -80.07 -69.93 0.55 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.35 -0.844 . . . . 0.0 109.995 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.9 mt -68.67 129.99 41.55 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -91.42 -12.19 35.49 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.381 -0.824 . . . . 0.0 109.474 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 71.84 -166.23 53.39 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 51.42 31.52 7.42 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.258 -1.142 . . . . 0.0 109.454 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -91.66 -13.14 32.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.163 -0.961 . . . . 0.0 109.452 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.6 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -64.11 -98.44 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.323 -0.861 . . . . 0.0 109.663 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.597 ' N ' ' SD ' ' B' ' 50' ' ' MET . 84.0 t60 -74.33 123.02 23.82 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.947 -1.095 . . . . 0.0 109.442 -179.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -142.71 -127.15 2.13 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -92.67 102.86 15.28 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.08 -1.247 . . . . 0.0 108.313 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 96.2 t -108.55 130.04 61.96 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.58 -0.7 . . . . 0.0 109.811 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.269 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.501 0.667 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 46.7 mt -62.4 -39.97 94.97 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.638 -0.664 . . . . 0.0 110.448 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -62.21 -40.68 96.9 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.131 -0.98 . . . . 0.0 110.451 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.22 -33.06 62.19 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 54.7 mt -66.02 -39.83 85.62 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.623 -0.928 . . . . 0.0 110.187 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -59.97 -40.87 90.56 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.05 -1.031 . . . . 0.0 110.028 -178.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.85 -40.03 83.73 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.875 -1.141 . . . . 0.0 108.611 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.56 -21.81 63.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.643 -0.66 . . . . 0.0 109.739 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.554 ' NE2' ' N ' ' A' ' 10' ' ' GLU . 3.3 tm0? -60.95 138.24 58.18 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.231 -0.918 . . . . 0.0 109.284 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' N ' ' NE2' ' A' ' 9' ' ' GLN . 34.5 tt0 -170.06 165.37 9.36 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.308 -0.87 . . . . 0.0 109.572 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 9.5 tp10 -57.54 145.08 34.68 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.331 -0.855 . . . . 0.0 109.634 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -57.09 78.98 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.566 -0.709 . . . . 0.0 109.855 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 4.6 tt0 -101.06 -153.97 0.47 Allowed 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.425 -0.797 . . . . 0.0 109.415 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -69.97 -31.13 68.7 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.195 -0.941 . . . . 0.0 110.221 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -60.05 -39.77 87.1 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.25 -0.906 . . . . 0.0 109.666 -178.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -60.01 -40.11 88.11 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.987 -1.071 . . . . 0.0 109.6 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 98.5 p -63.11 -44.66 95.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.862 -1.149 . . . . 0.0 109.168 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -99.83 94.48 6.35 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.359 -0.838 . . . . 0.0 109.719 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.4 p-90 -74.36 -25.33 59.44 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.098 -1.001 . . . . 0.0 110.132 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.36 -41.01 98.26 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.978 -178.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.222 -0.924 . . . . 0.0 109.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.3 ttp -65.54 -40.07 92.48 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.484 -0.76 . . . . 0.0 109.888 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.05 -40.67 95.08 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.047 -1.033 . . . . 0.0 108.919 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.96 75.51 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.434 -0.791 . . . . 0.0 110.072 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -61.13 -39.98 92.09 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.258 -0.901 . . . . 0.0 110.035 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -98.7 0.9 45.53 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.218 -0.926 . . . . 0.0 109.294 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 54.87 41.53 31.83 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.597 -0.689 . . . . 0.0 109.651 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.13 151.56 43.16 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.62 160.07 51.12 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 121.815 1.676 . . . . 0.0 111.082 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.48 -18.34 14.75 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.299 1.999 . . . . 0.0 111.412 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.97 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.148 -0.97 . . . . 0.0 110.71 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.4 -44.16 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.01 -43.14 99.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.48 -0.763 . . . . 0.0 109.613 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mmtt -62.3 -40.01 94.87 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.05 . . . . 0.0 109.853 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -59.98 -41.6 92.36 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.037 -1.039 . . . . 0.0 110.138 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.3 -40.06 87.61 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 O-C-N 120.963 -1.086 . . . . 0.0 108.325 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.0 -39.92 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.23 -32.04 71.01 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.417 -0.802 . . . . 0.0 109.468 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.65 -40.06 69.94 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.223 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -75.49 110.45 9.88 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.073 -1.017 . . . . 0.0 108.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -60.42 -40.05 89.65 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.398 -0.814 . . . . 0.0 110.62 -179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.06 -1.025 . . . . 0.0 110.115 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -75.98 -33.43 59.75 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 120.978 -1.076 . . . . 0.0 109.743 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -79.02 -70.57 0.49 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.272 -0.892 . . . . 0.0 110.851 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.7 mt -77.69 98.62 5.53 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.027 -1.046 . . . . 0.0 109.499 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -98.0 -16.21 19.75 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.589 -0.694 . . . . 0.0 110.123 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.8 142.19 28.39 Favored Glycine 0 N--CA 1.491 2.357 0 N-CA-C 110.157 -1.177 . . . . 0.0 110.157 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.658 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 1.2 pm0 -89.94 0.44 57.08 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.452 -1.028 . . . . 0.0 109.61 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 81.49 113.26 0.06 Allowed 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 -179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.453 ' O ' ' O ' ' B' ' 50' ' ' MET . 16.6 mmt -61.82 141.33 58.0 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.489 -0.757 . . . . 0.0 109.443 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.432 ' O ' ' O ' ' A' ' 52' ' ' GLY . 74.8 t60 -131.55 -17.85 2.87 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . 58.74 117.61 0.01 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 110.172 -1.171 . . . . 0.0 110.172 179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -96.19 134.82 38.82 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.159 -1.2 . . . . 0.0 108.914 179.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.7 t -98.03 120.14 46.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.408 -0.808 . . . . 0.0 109.699 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.082 -0.961 . . . . 0.0 109.449 179.722 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.547 0.689 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 47.7 mt -62.38 -39.95 94.89 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.61 -0.681 . . . . 0.0 110.474 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -62.17 -40.61 96.6 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.175 -0.953 . . . . 0.0 110.504 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.37 -32.86 61.96 Favored Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.341 -1.503 . . . . 0.0 109.341 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.9 mt -66.17 -39.76 85.21 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.726 -0.867 . . . . 0.0 110.198 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -59.99 -40.82 90.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.14 -0.975 . . . . 0.0 110.064 -178.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -67.87 -39.98 83.65 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.869 -1.145 . . . . 0.0 108.623 179.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.51 -21.8 63.64 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.673 -0.642 . . . . 0.0 109.83 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' B' ' 10' ' ' GLU . 3.2 tm0? -61.08 138.13 58.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.177 -0.952 . . . . 0.0 109.335 -179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.57 ' N ' ' NE2' ' B' ' 9' ' ' GLN . 34.3 tt0 -169.95 165.32 9.57 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.265 -0.897 . . . . 0.0 109.588 -179.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' B' ' 13' ' ' GLU . 9.5 tp10 -57.36 145.07 33.68 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.339 -0.851 . . . . 0.0 109.645 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -57.1 79.1 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.467 -0.771 . . . . 0.0 109.745 -179.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.542 ' N ' ' O ' ' B' ' 11' ' ' GLU . 4.6 tt0 -101.22 -153.89 0.47 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -0.81 . . . . 0.0 109.411 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 mtmm -69.94 -31.12 68.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.274 -0.891 . . . . 0.0 110.248 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -59.94 -39.96 87.3 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.258 -0.901 . . . . 0.0 109.629 -179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -59.92 -40.04 87.51 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 120.959 -1.088 . . . . 0.0 109.627 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 99.7 p -63.19 -44.73 94.56 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.869 -1.145 . . . . 0.0 109.142 179.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 24.8 m120 -99.72 94.46 6.36 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.311 -0.868 . . . . 0.0 109.614 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 57.5 p-90 -74.51 -25.13 59.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.171 -0.956 . . . . 0.0 110.096 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -62.52 -40.84 98.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.078 -1.014 . . . . 0.0 110.017 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.66 98.52 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.248 -0.907 . . . . 0.0 109.116 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.5 ttp -65.54 -40.03 92.43 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.499 -0.75 . . . . 0.0 109.932 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.71 95.44 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.953 -1.092 . . . . 0.0 108.926 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 41.2 t -70.01 -39.91 75.55 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.456 -0.777 . . . . 0.0 110.13 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -61.21 -39.9 91.98 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.328 -0.858 . . . . 0.0 110.008 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.8 0.86 45.23 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.195 -0.941 . . . . 0.0 109.207 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.02 41.44 31.84 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.548 -0.72 . . . . 0.0 109.615 179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 66.5 mt -111.07 151.48 43.07 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.44 160.15 50.91 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.833 1.689 . . . . 0.0 111.171 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -54.54 -18.29 14.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.337 2.025 . . . . 0.0 111.406 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 49.9 t -59.99 -51.54 71.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.09 -1.006 . . . . 0.0 110.739 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 76.0 t -69.46 -44.28 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.955 -1.09 . . . . 0.0 108.972 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.93 -43.16 99.42 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.461 -0.774 . . . . 0.0 109.642 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -62.14 -39.98 94.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.078 -1.014 . . . . 0.0 109.933 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.09 -41.55 92.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.112 -0.992 . . . . 0.0 110.059 -179.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 94.5 mt -63.4 -40.05 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 120.991 -1.068 . . . . 0.0 108.395 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.05 -39.97 85.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.453 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.2 -32.12 71.17 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.493 -0.754 . . . . 0.0 109.392 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -71.62 -40.06 70.03 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.206 -0.934 . . . . 0.0 109.284 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 15.5 t -75.34 110.44 9.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.187 -0.945 . . . . 0.0 108.985 179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.5 -39.92 89.49 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.358 -0.839 . . . . 0.0 110.589 -179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.113 -0.992 . . . . 0.0 110.061 -179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.4 m -76.0 -33.31 59.7 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 120.911 -1.118 . . . . 0.0 109.813 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.1 tt0 -79.23 -70.45 0.5 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.28 -0.888 . . . . 0.0 110.767 -178.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -77.79 98.64 5.61 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.975 -1.078 . . . . 0.0 109.532 -179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 pttt -98.07 -15.84 19.84 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.562 -0.711 . . . . 0.0 110.118 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.12 142.25 28.16 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 110.092 -1.203 . . . . 0.0 110.092 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.663 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 1.1 pm0 -90.03 0.45 57.11 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.44 -1.035 . . . . 0.0 109.597 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 81.51 112.99 0.06 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.453 ' O ' ' O ' ' A' ' 50' ' ' MET . 16.7 mmt -61.6 141.42 57.79 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.473 -0.767 . . . . 0.0 109.42 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.431 ' O ' ' O ' ' B' ' 52' ' ' GLY . 74.6 t60 -131.68 -17.74 2.84 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.417 -0.802 . . . . 0.0 108.839 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.431 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . 58.75 117.47 0.01 OUTLIER Glycine 0 N--CA 1.49 2.237 0 N-CA-C 110.236 -1.145 . . . . 0.0 110.236 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -95.99 134.84 38.52 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.299 -1.118 . . . . 0.0 108.952 179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 66.3 t -97.95 120.29 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.342 -0.848 . . . . 0.0 109.62 -179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.346 179.721 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 . . . . . 0 N--CA 1.488 1.462 0 CA-C-O 121.725 0.774 . . . . 0.0 109.853 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.6 mt -62.53 -40.64 97.42 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.427 -0.795 . . . . 0.0 110.317 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -63.14 -42.43 99.48 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.259 -0.901 . . . . 0.0 110.203 -179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.47 -37.98 95.16 Favored Glycine 0 N--CA 1.489 2.213 0 N-CA-C 109.117 -1.593 . . . . 0.0 109.117 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' GLN . 79.8 mt -64.39 -41.3 91.94 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 121.576 -0.955 . . . . 0.0 109.967 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -59.52 -47.21 86.42 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.935 -1.103 . . . . 0.0 110.074 -178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -68.49 -40.74 80.82 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.848 -1.158 . . . . 0.0 109.501 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.46 -31.49 68.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.452 -0.78 . . . . 0.0 110.15 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' ILE . 60.7 tt0 -62.67 138.04 58.41 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.919 -1.113 . . . . 0.0 109.504 -178.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -161.33 -173.76 3.98 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -63.97 157.11 25.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.023 . . . . 0.0 110.176 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 62.8 t60 -71.87 79.54 0.89 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.995 -1.066 . . . . 0.0 108.916 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.2 mt-10 -100.35 -160.83 0.82 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.565 -0.71 . . . . 0.0 109.816 -179.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -70.48 -26.36 63.59 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.24 -0.913 . . . . 0.0 109.738 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -60.75 -35.9 77.56 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.314 -0.866 . . . . 0.0 108.946 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -60.2 -39.74 87.61 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.87 -1.132 . . . . 0.0 108.626 179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 76.7 p -60.34 -47.97 83.77 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.781 -1.199 . . . . 0.0 109.167 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -93.79 86.15 5.03 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.141 -0.975 . . . . 0.0 109.357 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -70.12 -25.78 63.65 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.169 -0.957 . . . . 0.0 109.693 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.12 -40.83 95.26 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.442 -0.786 . . . . 0.0 110.067 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -42.93 97.21 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.327 -0.858 . . . . 0.0 108.834 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 59.1 ttp -65.73 -40.17 91.91 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.38 -0.825 . . . . 0.0 109.805 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.44 -40.92 98.45 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.302 -0.874 . . . . 0.0 109.278 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.4 t -69.17 -40.34 78.19 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.124 -0.985 . . . . 0.0 110.159 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -61.7 -39.67 92.29 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 110.272 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -100.22 -0.15 39.24 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.173 -0.955 . . . . 0.0 109.918 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 54.63 46.24 25.17 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.4 -0.813 . . . . 0.0 110.46 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.4 mt -114.31 152.07 45.65 Favored Pre-proline 0 N--CA 1.496 1.861 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.12 158.5 56.28 Favored 'Trans proline' 0 N--CA 1.49 1.291 0 C-N-CA 121.946 1.764 . . . . 0.0 110.337 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.61 -21.63 14.98 Favored 'Trans proline' 0 C--N 1.303 -1.863 0 C-N-CA 122.082 1.855 . . . . 0.0 111.511 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.8 t -56.51 -54.57 27.0 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 O-C-N 120.886 -1.134 . . . . 0.0 109.824 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.0 t -66.94 -44.82 88.41 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.367 -0.833 . . . . 0.0 109.121 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.92 -47.38 83.52 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.792 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.73 -38.33 90.08 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.652 -1.28 . . . . 0.0 110.541 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.65 -39.73 92.41 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.808 -1.183 . . . . 0.0 109.749 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.44 -39.69 83.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 52.8 t -63.77 -39.92 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.514 -0.741 . . . . 0.0 109.09 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -31.28 70.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.676 -0.64 . . . . 0.0 109.283 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -70.54 -37.74 74.1 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.106 -0.996 . . . . 0.0 109.031 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 20.6 t -73.97 109.6 7.59 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.132 -0.98 . . . . 0.0 108.926 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.09 -38.96 84.48 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.269 -0.894 . . . . 0.0 109.355 -179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -58.93 -39.97 83.18 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.998 -1.064 . . . . 0.0 110.19 -178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.5 m -80.11 -31.08 39.18 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.047 -1.033 . . . . 0.0 110.838 -179.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -68.29 -57.92 5.21 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.355 -0.841 . . . . 0.0 111.666 -177.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -79.12 119.7 22.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.671 -1.268 . . . . 0.0 109.452 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -95.23 125.65 40.01 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.992 -1.067 . . . . 0.0 110.014 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.06 16.7 68.97 Favored Glycine 0 N--CA 1.498 2.819 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 179.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 54.82 -169.32 0.07 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.481 -1.011 . . . . 0.0 109.673 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' HB1' ' SD ' ' B' ' 50' ' ' MET . . . -70.14 151.78 45.05 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.387 -0.821 . . . . 0.0 110.016 -179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -78.57 126.07 30.23 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.489 -0.757 . . . . 0.0 109.462 -179.545 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -156.68 155.31 31.52 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.254 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 79.22 19.49 71.93 Favored Glycine 0 N--CA 1.486 2.02 0 C-N-CA 119.847 -1.168 . . . . 0.0 110.356 179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -83.57 11.99 6.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.947 -1.325 . . . . 0.0 109.209 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.9 p -100.16 137.14 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.448 -0.782 . . . . 0.0 109.156 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 17.0 t70 . . . . . 0 C--N 1.298 -1.645 0 CA-C-O 118.044 -0.979 . . . . 0.0 108.869 179.602 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 . . . . . 0 N--CA 1.492 1.625 0 CA-C-O 121.545 0.688 . . . . 0.0 109.903 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.46 -40.92 96.24 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.521 -0.737 . . . . 0.0 110.196 -179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -63.52 -43.86 95.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.477 -0.764 . . . . 0.0 109.996 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.42 -37.81 95.26 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.022 -1.631 . . . . 0.0 109.022 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.24 -40.04 85.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.767 -0.843 . . . . 0.0 110.495 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -60.02 -46.41 89.6 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.855 -1.153 . . . . 0.0 109.885 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -69.33 -40.83 77.35 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.774 -1.204 . . . . 0.0 109.384 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.23 72.07 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.606 -0.684 . . . . 0.0 110.297 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.54 137.9 58.26 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.082 -1.011 . . . . 0.0 109.956 -178.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -161.27 -176.26 5.31 Favored 'General case' 0 C--N 1.3 -1.556 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -62.86 154.89 28.64 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.083 -1.01 . . . . 0.0 109.503 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' B' ' 12' ' ' HIS . 65.0 t60 -69.62 79.4 0.42 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.512 -0.743 . . . . 0.0 109.32 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -100.31 -162.63 0.96 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.686 -0.634 . . . . 0.0 109.638 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -69.14 -26.81 65.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.467 -0.77 . . . . 0.0 109.543 -179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -60.42 -35.65 76.3 Favored 'General case' 0 C--N 1.299 -1.606 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -60.27 -39.97 88.71 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 119.082 -1.047 . . . . 0.0 108.242 179.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -61.79 -46.85 87.76 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.955 -1.091 . . . . 0.0 109.225 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -93.55 85.97 5.07 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.071 -1.018 . . . . 0.0 109.573 179.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 63.7 p-90 -70.27 -26.85 64.01 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 120.889 -1.132 . . . . 0.0 109.761 179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -60.09 -41.25 92.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.937 -1.102 . . . . 0.0 110.36 -178.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.37 -40.7 91.74 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.3 -0.875 . . . . 0.0 109.19 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 57.5 ttp -66.57 -41.14 89.02 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.65 -0.656 . . . . 0.0 109.739 -179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.46 96.74 Favored 'General case' 0 C--N 1.301 -1.536 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.358 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 37.1 t -68.79 -40.27 79.71 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.453 -0.78 . . . . 0.0 110.028 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -62.15 -40.48 96.11 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.901 -1.124 . . . . 0.0 110.196 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.08 -0.48 41.73 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.334 -0.854 . . . . 0.0 109.798 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 54.48 45.59 26.71 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.545 -0.722 . . . . 0.0 109.973 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.6 mt -113.48 151.35 44.38 Favored Pre-proline 0 N--CA 1.499 1.982 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.85 158.12 57.92 Favored 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 121.83 1.687 . . . . 0.0 110.683 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.4 -21.1 12.92 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 121.907 1.738 . . . . 0.0 111.467 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.54 -53.29 46.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.59 0 O-C-N 120.824 -1.173 . . . . 0.0 110.178 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.5 t -67.73 -44.16 86.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.218 -0.926 . . . . 0.0 109.194 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.7 84.32 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.511 -0.743 . . . . 0.0 109.986 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 31.5 mttm -62.08 -39.7 93.33 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.583 -1.323 . . . . 0.0 110.189 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -61.4 -39.94 92.57 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 120.785 -1.197 . . . . 0.0 109.832 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.73 -39.68 84.16 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.275 0 O-C-N 120.879 -1.138 . . . . 0.0 108.23 179.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.23 -40.06 87.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.271 -0.893 . . . . 0.0 108.872 178.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.87 -29.94 69.19 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.392 -0.817 . . . . 0.0 109.776 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 57.9 m -72.08 -36.87 69.64 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.114 -0.992 . . . . 0.0 108.957 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 24.5 t -75.35 109.48 8.91 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.265 -0.897 . . . . 0.0 109.016 179.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -59.68 -38.28 81.11 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.225 -0.922 . . . . 0.0 109.691 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -59.29 -40.28 85.67 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.062 -1.024 . . . . 0.0 110.263 -178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -80.06 -31.13 39.42 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.032 -1.042 . . . . 0.0 110.821 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -67.44 -59.63 3.23 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.007 -1.058 . . . . 0.0 111.987 -177.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 90.1 mt -77.48 119.91 21.73 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.059 -1.026 . . . . 0.0 109.141 -179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 55.3 tptt -95.47 126.86 41.05 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.735 -1.228 . . . . 0.0 109.616 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.25 18.63 69.55 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 53.52 -167.49 0.07 Allowed 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.539 -0.977 . . . . 0.0 109.834 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.94 151.59 41.79 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.503 -0.748 . . . . 0.0 109.848 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.556 ' SD ' ' N ' ' B' ' 50' ' ' MET . 0.0 OUTLIER -76.16 127.6 33.24 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.552 -0.717 . . . . 0.0 110.185 -179.397 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -159.0 155.07 26.83 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.226 -0.921 . . . . 0.0 109.964 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 77.76 23.1 67.83 Favored Glycine 0 N--CA 1.487 2.063 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -85.91 10.03 15.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.286 -1.126 . . . . 0.0 109.134 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -100.11 136.66 30.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 t70 . . . . . 0 N--CA 1.496 1.827 0 O-C-N 121.238 -0.914 . . . . 0.0 109.422 -179.863 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.214 0.53 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 27.0 mt -64.24 -41.54 96.94 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -64.19 -40.67 96.58 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.381 -0.824 . . . . 0.0 109.899 -179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.49 -36.1 92.69 Favored Glycine 0 N--CA 1.489 2.209 0 N-CA-C 108.732 -1.747 . . . . 0.0 108.732 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.2 mt -67.65 -39.69 82.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.377 0 O-C-N 121.341 -1.094 . . . . 0.0 110.065 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.35 -42.55 91.8 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.82 -1.175 . . . . 0.0 110.279 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -70.31 -41.05 73.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.983 -1.073 . . . . 0.0 109.483 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.58 -25.88 62.37 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.756 -0.59 . . . . 0.0 110.899 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -62.3 140.29 58.51 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.259 -0.901 . . . . 0.0 109.445 -178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -164.61 -175.72 3.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.117 -0.989 . . . . 0.0 109.424 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -69.79 154.91 41.33 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.171 -0.956 . . . . 0.0 109.82 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -70.75 72.78 0.55 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.535 -0.728 . . . . 0.0 109.25 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -102.17 -149.71 0.39 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.573 -0.705 . . . . 0.0 109.861 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -70.27 -32.56 70.43 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.471 -0.768 . . . . 0.0 109.852 -179.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -60.43 -39.95 89.32 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.425 -0.797 . . . . 0.0 109.699 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -60.32 -44.86 95.07 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.148 -0.97 . . . . 0.0 109.64 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -98.01 100.37 11.7 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.289 -0.882 . . . . 0.0 108.759 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.467 ' CH2' ' NH1' ' A' ' 20' ' ' ARG . 55.7 p-90 -77.25 -24.86 51.09 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.387 -0.821 . . . . 0.0 109.437 179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' NH1' ' CH2' ' A' ' 19' ' ' TRP . 58.7 mtt-85 -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.407 -0.808 . . . . 0.0 110.102 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.54 97.38 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.069 -1.053 . . . . 0.0 108.706 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.2 ttm -62.5 -44.16 97.04 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.324 -0.86 . . . . 0.0 109.898 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.79 -44.98 94.73 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.207 -0.933 . . . . 0.0 109.362 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -67.33 -40.07 85.89 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.597 -0.689 . . . . 0.0 109.882 -179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.4 -40.59 94.95 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.212 -0.93 . . . . 0.0 109.852 -179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -100.59 1.93 41.27 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.489 -0.757 . . . . 0.0 110.136 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' A' ' 23' ' ' ALA . 98.1 m-20 55.02 43.64 29.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.509 -0.744 . . . . 0.0 110.185 179.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.461 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 41.8 mt -116.92 150.71 46.36 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.1 162.12 36.99 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 121.892 1.728 . . . . 0.0 110.778 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -55.05 -20.74 24.55 Favored 'Trans proline' 0 C--N 1.301 -1.947 0 C-N-CA 122.689 2.26 . . . . 0.0 112.623 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.5 t -59.01 -48.63 86.03 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 O-C-N 120.686 -1.259 . . . . 0.0 110.751 -178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.62 -44.54 82.57 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 O-C-N 120.878 -1.139 . . . . 0.0 109.204 -179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.27 -41.26 94.39 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.252 -0.905 . . . . 0.0 109.73 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -63.03 -39.47 94.85 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.167 -0.958 . . . . 0.0 109.747 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.49 -40.15 90.27 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.851 -1.156 . . . . 0.0 109.339 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 82.2 mt -62.04 -40.05 85.99 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 120.905 -1.122 . . . . 0.0 108.744 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.81 -40.06 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.185 -0.947 . . . . 0.0 108.539 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.422 ' HB2' ' CB ' ' B' ' 38' ' ' ALA . . . -66.58 -35.51 80.37 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.599 -0.688 . . . . 0.0 109.609 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 74.0 m -72.56 -38.85 67.84 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.463 -0.773 . . . . 0.0 110.316 -178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -76.76 114.21 15.27 Favored 'General case' 0 C--N 1.301 -1.503 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 179.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -60.45 -39.75 88.66 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.325 -0.859 . . . . 0.0 110.585 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.42 -41.15 93.35 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.908 -1.12 . . . . 0.0 110.156 -179.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 21.4 m -80.56 -29.88 37.03 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.279 -0.888 . . . . 0.0 110.309 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -65.08 -59.28 4.3 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.238 -0.914 . . . . 0.0 110.951 -177.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.75 110.65 14.1 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.921 -1.112 . . . . 0.0 109.085 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.19 123.83 36.74 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.156 -0.965 . . . . 0.0 110.26 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.4 -176.53 27.3 Favored Glycine 0 N--CA 1.496 2.658 0 N-CA-C 109.807 -1.317 . . . . 0.0 109.807 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.8 mt-10 -80.44 141.65 35.06 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.273 -1.133 . . . . 0.0 109.341 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 50' ' ' MET . . . -78.14 -58.28 3.34 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.202 -0.936 . . . . 0.0 109.934 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.466 ' H ' ' HB2' ' B' ' 51' ' ' HIS . 27.9 ttt 55.73 108.83 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.548 -0.72 . . . . 0.0 110.315 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -85.9 129.96 34.68 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.456 -0.777 . . . . 0.0 109.339 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.72 -175.87 38.93 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 108.529 -1.828 . . . . 0.0 108.529 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 52.8 62.97 2.42 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.932 -1.334 . . . . 0.0 109.363 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -92.78 138.2 20.61 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.124 -0.985 . . . . 0.0 109.217 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.9 t0 . . . . . 0 N--CA 1.496 1.866 0 CA-C-O 117.921 -1.038 . . . . 0.0 109.11 -179.442 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 26.2 mt -62.44 -40.9 98.08 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.218 -0.926 . . . . 0.0 109.359 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -64.18 -41.37 97.14 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.377 -0.827 . . . . 0.0 109.858 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.81 91.73 Favored Glycine 0 N--CA 1.486 2.029 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.8 mt -67.94 -39.76 82.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.434 -1.039 . . . . 0.0 110.375 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -59.38 -41.8 90.17 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.883 -1.136 . . . . 0.0 110.687 -178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -70.62 -39.95 73.43 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.832 -1.168 . . . . 0.0 109.369 179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.28 -25.62 61.66 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.7 -0.625 . . . . 0.0 110.59 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.95 139.88 58.36 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.043 -1.036 . . . . 0.0 109.859 -178.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' HG2' ' HE2' ' B' ' 16' ' ' HIS . 14.4 pt-20 -165.02 -175.93 3.93 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.304 -0.872 . . . . 0.0 109.291 -179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -69.81 154.15 42.36 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.111 -0.993 . . . . 0.0 110.254 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -69.84 71.62 0.37 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.451 -0.781 . . . . 0.0 109.269 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -100.82 -149.66 0.38 Allowed 'General case' 0 N--CA 1.498 1.944 0 CA-C-O 121.566 0.698 . . . . 0.0 110.152 -179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -69.91 -32.82 71.31 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.568 -0.708 . . . . 0.0 109.959 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -60.3 -39.7 87.91 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.336 -0.853 . . . . 0.0 109.967 -179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.415 ' HE2' ' HG2' ' B' ' 10' ' ' GLU . 8.6 m170 -60.44 -40.22 90.36 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.992 -1.067 . . . . 0.0 109.655 -179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 79.8 p -60.06 -45.33 93.24 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.162 -0.961 . . . . 0.0 109.289 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -97.13 99.39 10.89 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.361 -0.837 . . . . 0.0 109.166 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.404 ' CH2' ' NH1' ' B' ' 20' ' ' ARG . 54.0 p-90 -76.58 -25.23 53.75 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.453 -0.779 . . . . 0.0 109.564 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.432 HH11 ' HG2' ' B' ' 20' ' ' ARG . 59.0 mtt-85 -60.62 -40.39 91.75 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.08 -40.94 97.51 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.029 -1.044 . . . . 0.0 109.009 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.5 ttm -62.46 -43.79 97.96 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.196 -0.94 . . . . 0.0 110.121 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.48 -44.66 93.77 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.06 -179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 30.6 t -67.58 -40.18 84.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.635 -0.666 . . . . 0.0 109.716 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -61.39 -40.29 93.8 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.357 -0.839 . . . . 0.0 109.467 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -100.8 0.92 39.62 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.453 -0.779 . . . . 0.0 110.241 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.8 m-20 56.37 42.36 27.77 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.355 -0.841 . . . . 0.0 110.405 179.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.462 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 47.3 mt -116.28 151.42 46.77 Favored Pre-proline 0 N--CA 1.5 2.036 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.46 162.09 38.17 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 121.627 1.551 . . . . 0.0 111.036 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.49 -19.41 22.83 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.554 2.169 . . . . 0.0 112.46 -179.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.73 -49.88 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 120.712 -1.243 . . . . 0.0 110.615 -178.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.1 t -66.74 -45.78 87.22 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 120.99 -1.069 . . . . 0.0 109.396 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.39 -40.93 96.77 Favored 'General case' 0 C--N 1.3 -1.553 0 C-N-CA 119.795 -0.762 . . . . 0.0 109.854 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -63.41 -39.5 94.68 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.886 -1.134 . . . . 0.0 109.676 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.78 -40.05 91.11 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.723 -1.236 . . . . 0.0 109.695 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.73 -40.49 87.02 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 120.796 -1.19 . . . . 0.0 108.739 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.68 -40.89 86.21 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.509 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -66.17 -37.16 84.97 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.532 -0.73 . . . . 0.0 109.419 179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.5 m -70.18 -39.12 75.45 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.429 -0.794 . . . . 0.0 110.125 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.6 114.37 15.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.994 -1.066 . . . . 0.0 108.732 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -60.51 -40.03 89.92 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.366 -0.834 . . . . 0.0 110.377 -179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.17 -41.77 93.55 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.798 -1.189 . . . . 0.0 110.298 -178.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 21.9 m -79.82 -28.89 40.1 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.262 -0.899 . . . . 0.0 110.153 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 32.2 tt0 -66.47 -60.31 2.86 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.104 -0.997 . . . . 0.0 111.103 -177.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.6 mt -78.29 110.38 13.26 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.945 -1.097 . . . . 0.0 108.885 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -92.5 123.59 35.92 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.312 -0.867 . . . . 0.0 110.212 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 68.22 -175.23 28.98 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 110.094 -1.202 . . . . 0.0 110.094 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -81.19 139.93 35.24 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.279 -1.13 . . . . 0.0 110.216 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' B' ' 50' ' ' MET . . . -77.13 -58.58 3.2 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.315 -0.865 . . . . 0.0 110.172 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.451 ' O ' ' O ' ' B' ' 49' ' ' ALA . 27.8 ttt 54.77 110.42 0.01 OUTLIER 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 121.734 0.778 . . . . 0.0 109.856 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.466 ' HB2' ' H ' ' A' ' 50' ' ' MET . 84.6 t60 -87.81 130.09 34.98 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.403 -0.811 . . . . 0.0 108.941 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -75.65 -173.99 35.18 Favored Glycine 0 N--CA 1.482 1.766 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 50.88 63.84 2.07 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 121.181 -1.188 . . . . 0.0 109.378 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 9.7 p -93.33 140.02 17.13 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.258 -0.901 . . . . 0.0 108.999 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 68.2 t0 . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 117.751 -1.118 . . . . 0.0 109.557 -179.386 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 121.828 0.823 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.82 -40.5 97.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.585 -0.697 . . . . 0.0 110.953 -179.384 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.77 -39.94 91.53 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.171 -0.956 . . . . 0.0 111.424 -178.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.56 -34.93 90.44 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.841 -1.704 . . . . 0.0 108.841 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 73.2 mt -65.97 -40.05 86.3 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.0 0 O-C-N 121.376 -1.073 . . . . 0.0 109.611 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -60.2 -49.02 79.29 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 119.257 -0.977 . . . . 0.0 110.33 -178.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -66.58 -40.1 88.76 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.451 -1.406 . . . . 0.0 108.904 179.563 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.99 -40.31 78.85 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.723 -0.611 . . . . 0.0 110.199 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 54.4 tt0 -65.65 127.31 31.39 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.308 -0.87 . . . . 0.0 110.194 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -147.3 -165.04 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.331 -0.855 . . . . 0.0 109.047 179.308 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' GLU . 67.1 mm-40 -69.83 153.78 42.85 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.442 -0.786 . . . . 0.0 109.351 -179.632 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.484 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 70.1 t60 -64.71 71.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.735 -1.228 . . . . 0.0 109.676 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 11' ' ' GLU . 86.5 mt-10 -94.05 -162.14 0.91 Allowed 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.365 -0.834 . . . . 0.0 109.368 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 17' ' ' SER . 67.9 mttm -69.89 -25.61 63.78 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.547 -0.721 . . . . 0.0 109.822 -179.709 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.0 m-85 -59.88 -36.6 77.28 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.266 -0.896 . . . . 0.0 110.118 -179.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -59.28 -40.67 86.86 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 120.592 -1.318 . . . . 0.0 109.106 179.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 14' ' ' LYS . 78.3 p -62.56 -42.63 99.66 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.882 -1.136 . . . . 0.0 108.844 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -92.4 84.05 5.08 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.947 -1.096 . . . . 0.0 108.734 179.101 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.7 p-90 -71.39 -24.17 62.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.262 -0.899 . . . . 0.0 109.757 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.2 mtm180 -61.75 -40.39 94.95 Favored 'General case' 0 C--N 1.297 -1.688 0 O-C-N 120.579 -1.326 . . . . 0.0 109.76 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.46 -41.49 94.24 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.043 -1.036 . . . . 0.0 109.346 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 32.0 ttm -61.74 -47.07 86.91 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.33 -0.856 . . . . 0.0 109.268 -179.374 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -62.04 -40.88 97.23 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.078 -1.014 . . . . 0.0 109.535 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.4 t -69.11 -40.26 78.45 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.38 -0.825 . . . . 0.0 110.12 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -60.73 -40.85 93.87 Favored 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.279 -0.888 . . . . 0.0 109.981 179.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -102.89 1.82 34.43 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.399 -0.813 . . . . 0.0 110.47 -179.369 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ALA . 82.0 m-20 53.06 47.42 24.6 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.314 -0.866 . . . . 0.0 110.434 179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.47 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 38.4 mt -118.02 152.04 49.79 Favored Pre-proline 0 N--CA 1.501 2.092 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 178.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -67.73 161.63 42.92 Favored 'Trans proline' 0 N--CA 1.494 1.515 0 C-N-CA 121.513 1.475 . . . . 0.0 111.124 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -52.9 -20.45 13.25 Favored 'Trans proline' 0 N--CA 1.501 1.934 0 C-N-CA 122.736 2.291 . . . . 0.0 112.048 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.34 -50.63 79.15 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.075 -1.016 . . . . 0.0 111.174 -178.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 59.3 t -68.81 -42.55 82.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 120.479 -1.388 . . . . 0.0 109.032 -179.687 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.26 -43.28 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.374 -0.829 . . . . 0.0 109.678 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -62.25 -40.19 95.35 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.876 -1.14 . . . . 0.0 109.668 179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 13.4 tm-20 -61.21 -40.57 94.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.021 -1.05 . . . . 0.0 109.633 -179.049 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.49 -40.5 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 O-C-N 120.865 -1.147 . . . . 0.0 108.773 179.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.5 t -62.94 -40.0 87.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 121.37 -0.831 . . . . 0.0 109.518 179.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.88 -28.4 65.61 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.531 -0.731 . . . . 0.0 110.1 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.411 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 47.1 m -71.35 -39.66 71.16 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.018 -1.051 . . . . 0.0 109.322 -179.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 22.2 t -71.74 113.32 8.65 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.203 -0.936 . . . . 0.0 109.408 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -60.33 -40.05 89.25 Favored 'General case' 0 C--N 1.306 -1.285 0 O-C-N 121.08 -1.013 . . . . 0.0 110.128 -179.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.29 -39.64 87.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.41 -0.806 . . . . 0.0 110.824 -179.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.09 -35.73 49.03 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.035 -1.041 . . . . 0.0 109.976 -179.352 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -76.25 -71.6 0.38 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.696 . . . . 0.0 109.783 -178.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.6 mt -70.66 151.47 44.91 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.482 0.658 . . . . 0.0 109.39 -179.868 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.13 -6.4 58.78 Favored 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.017 -1.052 . . . . 0.0 109.973 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 104.28 -58.46 0.5 Allowed Glycine 0 N--CA 1.497 2.728 0 N-CA-C 109.119 -1.593 . . . . 0.0 109.119 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -95.88 136.97 35.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.302 -1.116 . . . . 0.0 108.745 179.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.85 29.0 0.18 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.834 -1.166 . . . . 0.0 110.022 -179.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -131.45 -21.76 2.52 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.111 -0.993 . . . . 0.0 109.596 -179.518 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 52.18 50.28 18.78 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.632 -1.292 . . . . 0.0 108.737 -179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.71 6.77 10.82 Favored Glycine 0 N--CA 1.494 2.519 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -95.05 131.82 40.62 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.189 -1.183 . . . . 0.0 109.465 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.0 129.97 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.196 -0.94 . . . . 0.0 109.56 -179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.579 -179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.431 0.634 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 85.9 mt -59.74 -42.27 92.83 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.605 -0.684 . . . . 0.0 111.167 -178.339 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.26 -41.05 97.12 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.699 -1.251 . . . . 0.0 110.816 -179.21 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.88 -35.72 92.41 Favored Glycine 0 N--CA 1.494 2.563 0 N-CA-C 109.072 -1.611 . . . . 0.0 109.072 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 75.0 mt -67.44 -40.02 83.72 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 121.185 -1.186 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -59.31 -49.94 75.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.727 -1.233 . . . . 0.0 109.974 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -66.41 -39.52 89.03 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 120.866 -1.146 . . . . 0.0 109.12 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.67 -39.84 76.79 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 119.848 -0.741 . . . . 0.0 109.738 -179.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -65.17 129.8 41.04 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.219 -0.926 . . . . 0.0 110.644 -179.015 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -148.76 -164.93 2.14 Favored 'General case' 0 N--CA 1.499 2.004 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' B' ' 13' ' ' GLU . 65.5 mm-40 -71.05 154.03 42.11 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.33 -0.856 . . . . 0.0 109.271 179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.464 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -64.44 73.1 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.194 -0.941 . . . . 0.0 109.623 -179.598 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 11' ' ' GLU . 90.3 mt-10 -96.53 -162.14 0.93 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.581 -0.699 . . . . 0.0 109.229 179.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -69.94 -26.62 64.21 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.327 -0.858 . . . . 0.0 109.706 -179.337 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -59.7 -35.54 74.71 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.917 -1.114 . . . . 0.0 110.199 -179.278 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.7 m170 -60.15 -41.0 91.83 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.605 -1.309 . . . . 0.0 108.666 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.7 p -61.95 -44.07 97.53 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.961 -1.087 . . . . 0.0 108.496 179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -92.02 86.19 5.76 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.307 -0.87 . . . . 0.0 109.152 178.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.8 p-90 -72.33 -25.67 61.64 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.512 -0.743 . . . . 0.0 110.001 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -60.41 -41.56 94.18 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 119.819 -0.753 . . . . 0.0 109.781 -179.314 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.22 92.61 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.151 -0.968 . . . . 0.0 110.111 179.567 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.4 ttm -61.89 -46.47 89.25 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.899 -1.126 . . . . 0.0 109.067 -179.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.424 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.81 -41.77 99.44 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 121.684 0.754 . . . . 0.0 109.815 -179.366 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 26.2 t -69.2 -39.96 78.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.433 -0.792 . . . . 0.0 109.828 -179.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -60.74 -41.45 95.38 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.354 -0.841 . . . . 0.0 109.807 -179.675 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -101.64 0.28 35.96 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.373 -0.829 . . . . 0.0 110.024 -179.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.08 50.81 15.78 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.168 -0.958 . . . . 0.0 110.321 179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.424 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 33.7 mt -122.44 153.0 62.12 Favored Pre-proline 0 N--CA 1.498 1.972 0 N-CA-C 107.915 -1.142 . . . . 0.0 107.915 178.882 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.77 160.57 47.7 Favored 'Trans proline' 0 N--CA 1.503 2.079 0 C-N-CA 121.88 1.72 . . . . 0.0 112.289 178.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -53.18 -19.37 12.06 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.579 2.186 . . . . 0.0 112.052 -179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.43 -50.38 80.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 O-C-N 121.049 -1.032 . . . . 0.0 110.711 -179.012 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 72.2 t -68.79 -44.71 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 120.746 -1.221 . . . . 0.0 108.676 -179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.03 -42.48 97.08 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.147 -0.97 . . . . 0.0 110.373 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -63.73 -39.92 95.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.08 -1.012 . . . . 0.0 109.609 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.45 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 13.6 tm-20 -60.51 -41.2 93.87 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.125 -0.984 . . . . 0.0 109.974 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.6 mt -64.89 -40.44 89.08 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.07 -40.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 O-C-N 121.425 -0.797 . . . . 0.0 109.133 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.444 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -69.93 -29.66 66.86 Favored 'General case' 0 N--CA 1.495 1.791 0 CA-C-O 121.572 0.701 . . . . 0.0 110.226 -179.755 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.45 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 65.8 m -70.72 -39.1 73.58 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.855 -1.153 . . . . 0.0 109.196 -179.454 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.9 t -72.17 113.7 9.49 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.016 -1.053 . . . . 0.0 109.196 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.99 -40.26 88.57 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.608 -0.683 . . . . 0.0 109.552 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.7 -40.03 90.7 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.018 -1.051 . . . . 0.0 111.209 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.2 m -78.05 -34.97 50.16 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.874 -1.141 . . . . 0.0 109.981 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 22.5 tt0 -76.21 -69.96 0.47 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.222 -0.924 . . . . 0.0 110.365 -178.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 75.2 mt -73.29 155.24 39.67 Favored 'General case' 0 C--N 1.298 -1.649 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.53 -5.03 59.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.14 -0.975 . . . . 0.0 109.563 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.47 -58.25 0.59 Allowed Glycine 0 N--CA 1.497 2.741 0 N-CA-C 109.076 -1.61 . . . . 0.0 109.076 179.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -95.15 135.68 36.42 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.227 -1.161 . . . . 0.0 109.295 179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -160.92 30.68 0.15 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.324 -0.86 . . . . 0.0 110.518 -179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -133.33 -21.05 2.07 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.517 -1.364 . . . . 0.0 109.089 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.413 ' ND1' ' O ' ' B' ' 51' ' ' HIS . 62.5 t-80 51.25 51.01 17.79 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.307 -0.871 . . . . 0.0 109.173 179.616 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -72.8 7.25 9.59 Favored Glycine 0 N--CA 1.491 2.308 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.461 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -93.98 131.75 39.13 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.113 -1.228 . . . . 0.0 109.37 179.323 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 45.4 t -98.55 130.37 47.48 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.048 -1.032 . . . . 0.0 109.545 -179.208 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--N 1.301 -1.539 0 CA-C-O 118.289 -0.862 . . . . 0.0 109.584 -179.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.157 0.503 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.83 -40.09 95.78 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.359 -0.838 . . . . 0.0 110.204 -179.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -63.66 -42.59 98.07 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.133 -0.98 . . . . 0.0 109.621 -179.78 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.94 -39.31 96.8 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.052 -1.619 . . . . 0.0 109.052 179.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.5 mt -64.56 -39.13 84.53 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.422 -1.046 . . . . 0.0 109.989 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -59.5 -49.68 76.84 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.149 -0.969 . . . . 0.0 110.63 -179.321 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -68.05 -40.25 82.86 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.922 -1.112 . . . . 0.0 109.461 -179.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -26.43 64.5 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.562 -0.711 . . . . 0.0 109.95 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -60.17 131.59 51.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.014 -1.054 . . . . 0.0 108.991 -179.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' O ' ' NE2' ' A' ' 16' ' ' HIS . 45.3 tt0 -153.85 161.13 42.29 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.351 -0.843 . . . . 0.0 108.95 -179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 13' ' ' GLU . 8.5 tp10 -53.02 153.35 3.51 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.305 -0.872 . . . . 0.0 109.335 -179.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -65.91 70.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.447 -0.783 . . . . 0.0 109.356 -179.179 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 11' ' ' GLU . 16.7 tt0 -101.07 -149.75 0.38 Allowed 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.647 0.737 . . . . 0.0 109.648 -179.729 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 98.4 mttt -70.18 -34.67 73.25 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.528 -0.732 . . . . 0.0 110.948 -179.499 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -59.82 -37.79 80.19 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.152 -0.967 . . . . 0.0 109.141 -179.271 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.47 ' NE2' ' O ' ' A' ' 10' ' ' GLU . 7.5 m170 -60.54 -42.24 96.11 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.875 -1.14 . . . . 0.0 109.072 179.254 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 86.2 p -60.36 -48.59 81.11 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.939 -1.1 . . . . 0.0 109.599 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -95.98 87.89 4.73 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.054 -1.029 . . . . 0.0 109.588 179.446 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.611 ' CE2' ' NZ ' ' A' ' 34' ' ' LYS . 66.1 p-90 -70.05 -22.47 63.07 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.217 -0.927 . . . . 0.0 109.589 179.794 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.35 -40.88 92.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.053 -1.029 . . . . 0.0 109.092 -179.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.18 94.47 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.126 -0.984 . . . . 0.0 109.195 179.341 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.476 ' SD ' HD12 ' A' ' 36' ' ' ILE . 34.1 ttm -60.75 -45.98 92.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.419 -0.8 . . . . 0.0 109.623 179.969 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.11 -42.16 99.5 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.327 -0.858 . . . . 0.0 109.371 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.1 t -69.87 -40.71 75.58 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.24 -0.912 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -60.42 -40.2 90.17 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.673 -179.651 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -100.84 1.76 40.39 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.539 -0.725 . . . . 0.0 109.68 -179.874 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 23' ' ' ALA . 95.2 m-20 53.61 44.95 29.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 57.0 mt -116.4 152.67 48.35 Favored Pre-proline 0 N--CA 1.498 1.938 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.54 161.32 46.46 Favored 'Trans proline' 0 C--N 1.307 -1.632 0 C-N-CA 121.458 1.439 . . . . 0.0 110.737 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -54.21 -17.54 11.97 Favored 'Trans proline' 0 C--N 1.303 -1.856 0 C-N-CA 122.542 2.161 . . . . 0.0 111.793 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.16 -50.96 78.18 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.153 -0.967 . . . . 0.0 110.441 -178.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.8 t -67.81 -47.96 77.48 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 O-C-N 120.975 -1.078 . . . . 0.0 109.149 179.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.94 -40.81 94.68 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.372 -0.83 . . . . 0.0 109.929 -179.855 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' NZ ' ' CE2' ' A' ' 19' ' ' TRP . 17.3 mmtm -63.98 -39.97 95.33 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.089 -1.007 . . . . 0.0 109.762 179.486 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.452 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 5.5 tm-20 -60.78 -40.29 92.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.031 -1.043 . . . . 0.0 109.805 -179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.476 HD12 ' SD ' ' A' ' 22' ' ' MET . 96.8 mt -61.72 -39.73 84.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.68 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 37.7 t -61.37 -39.52 83.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.56 -32.68 74.17 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.876 -0.515 . . . . 0.0 109.749 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.452 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 68.6 m -73.92 -39.03 64.11 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.171 -0.955 . . . . 0.0 110.166 -179.474 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.2 t -77.03 117.42 18.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.933 -1.104 . . . . 0.0 108.799 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -61.46 -40.1 93.28 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.139 -0.976 . . . . 0.0 110.234 -179.212 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -60.9 -42.07 97.3 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.413 -0.805 . . . . 0.0 110.183 -179.124 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 37.2 m -79.21 -23.59 43.69 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.056 -1.027 . . . . 0.0 109.942 -179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -71.44 -66.52 0.61 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.25 -0.906 . . . . 0.0 110.268 -178.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -74.83 129.54 37.87 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.922 -1.111 . . . . 0.0 108.806 179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -87.69 -13.97 41.12 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.708 -1.245 . . . . 0.0 109.726 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' C ' ' H ' ' A' ' 49' ' ' ALA . . . 117.49 -25.4 8.63 Favored Glycine 0 N--CA 1.502 3.038 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.021 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 53.0 mp0 -71.76 45.41 0.11 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.926 -1.338 . . . . 0.0 109.468 -179.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 47' ' ' GLY . . . -68.46 162.93 24.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.368 -0.833 . . . . 0.0 109.662 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.1 mmm -61.07 156.38 18.11 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.269 -0.894 . . . . 0.0 109.892 -179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -139.72 150.34 44.72 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.306 -0.871 . . . . 0.0 109.723 -179.332 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.455 ' H ' ' H ' ' B' ' 52' ' ' GLY . . . -58.1 138.63 48.51 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 109.046 -1.622 . . . . 0.0 109.046 179.276 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -89.22 121.05 31.14 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.36 -1.083 . . . . 0.0 109.219 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.4 t -134.5 124.3 44.51 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.259 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.4 t70 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.97 -1.081 . . . . 0.0 109.598 179.969 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.249 0.547 . . . . 0.0 109.976 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.7 -40.05 95.82 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.393 -0.817 . . . . 0.0 110.129 -179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.408 ' OD1' ' C ' ' B' ' 3' ' ' ASP . 31.6 t0 -64.08 -41.26 97.37 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.546 -179.681 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.11 -37.85 95.16 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 108.861 -1.696 . . . . 0.0 108.861 179.853 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.8 mt -65.33 -39.61 85.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.68 0 O-C-N 121.659 -0.907 . . . . 0.0 109.964 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.86 -49.36 78.0 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.926 -1.109 . . . . 0.0 110.816 -179.032 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 50.1 mtmt -67.44 -40.47 85.43 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.987 -1.071 . . . . 0.0 109.084 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.64 -26.77 64.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.558 -0.714 . . . . 0.0 110.102 179.796 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -60.14 131.79 51.92 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.156 -0.965 . . . . 0.0 109.352 -179.328 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.511 ' O ' ' NE2' ' B' ' 16' ' ' HIS . 46.9 tt0 -155.38 158.5 38.76 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.315 -0.866 . . . . 0.0 109.233 -179.368 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' B' ' 13' ' ' GLU . 8.5 tp10 -50.05 153.9 1.27 Allowed 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.204 -0.935 . . . . 0.0 109.39 -179.648 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.423 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 71.1 t60 -67.25 71.91 0.11 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.261 -0.9 . . . . 0.0 109.604 -179.345 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' B' ' 11' ' ' GLU . 15.3 tt0 -101.73 -149.79 0.39 Allowed 'General case' 0 N--CA 1.496 1.85 0 CA-C-O 121.579 0.704 . . . . 0.0 109.62 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -70.02 -34.36 73.17 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.609 -0.682 . . . . 0.0 110.996 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -60.18 -39.02 85.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.095 -1.003 . . . . 0.0 109.199 -178.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' O ' ' B' ' 10' ' ' GLU . 7.7 m170 -60.56 -41.3 94.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.79 -1.194 . . . . 0.0 109.025 179.34 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.9 p -60.6 -49.42 77.62 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.147 -0.971 . . . . 0.0 108.8 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -95.22 88.27 5.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.178 -0.951 . . . . 0.0 109.207 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.622 ' CE2' ' NZ ' ' B' ' 34' ' ' LYS . 66.5 p-90 -70.37 -22.58 62.76 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.078 -1.014 . . . . 0.0 109.57 179.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.94 -39.81 90.9 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.985 -1.072 . . . . 0.0 109.507 -179.26 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.28 -40.78 95.4 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.994 -1.067 . . . . 0.0 108.667 179.196 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.495 ' SD ' HD12 ' B' ' 36' ' ' ILE . 32.2 ttm -60.9 -45.59 94.02 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.339 -0.851 . . . . 0.0 109.756 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.534 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -63.85 -41.94 97.68 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.082 -1.011 . . . . 0.0 109.531 -179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 40.5 t -69.28 -40.5 77.73 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.251 -0.905 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -60.56 -40.65 92.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.42 -0.8 . . . . 0.0 109.571 -179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -100.34 1.86 41.94 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.48 -0.763 . . . . 0.0 109.714 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 23' ' ' ALA . 96.0 m-20 53.61 44.4 29.82 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.468 -0.77 . . . . 0.0 109.266 179.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.534 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 56.8 mt -115.36 152.79 47.31 Favored Pre-proline 0 N--CA 1.5 2.074 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.18 161.56 45.55 Favored 'Trans proline' 0 N--CA 1.492 1.421 0 C-N-CA 121.688 1.592 . . . . 0.0 110.95 179.581 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.56 -17.41 12.79 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.443 2.095 . . . . 0.0 111.623 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.55 -50.64 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.058 -1.027 . . . . 0.0 110.406 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -67.93 -47.08 80.6 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.65 98.43 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.534 -0.729 . . . . 0.0 109.627 -179.85 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.622 ' NZ ' ' CE2' ' B' ' 19' ' ' TRP . 17.6 mmtm -63.03 -39.79 95.79 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.209 -0.932 . . . . 0.0 109.608 179.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.466 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 5.2 tm-20 -61.1 -40.66 94.56 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.012 -1.055 . . . . 0.0 109.487 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.495 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -61.26 -40.3 85.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.3 -0.875 . . . . 0.0 108.831 179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 38.0 t -60.76 -40.53 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 178.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -32.28 73.55 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.468 -0.77 . . . . 0.0 109.931 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.466 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 69.8 m -73.94 -39.64 63.63 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.224 -0.922 . . . . 0.0 110.039 -179.271 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 31.0 t -76.71 118.9 19.8 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.288 -0.883 . . . . 0.0 109.064 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -62.06 -40.18 94.9 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.228 -0.92 . . . . 0.0 110.496 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -62.01 -41.38 98.0 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.238 -0.914 . . . . 0.0 110.358 -178.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.423 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 40.0 m -79.6 -22.45 43.67 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.787 -1.196 . . . . 0.0 110.037 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -72.08 -67.36 0.55 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.256 -0.902 . . . . 0.0 109.913 -178.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 92.6 mt -74.23 130.11 39.11 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.003 -1.06 . . . . 0.0 109.033 179.428 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -88.57 -13.36 40.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.992 -1.067 . . . . 0.0 109.86 -179.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' B' ' 49' ' ' ALA . . . 115.56 -22.88 11.51 Favored Glycine 0 N--CA 1.505 3.233 0 N-CA-C 110.206 -1.157 . . . . 0.0 110.206 178.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' B' ' 48' ' ' GLU . 47.4 mp0 -73.86 44.36 0.17 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.906 -1.35 . . . . 0.0 109.215 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.432 ' H ' ' C ' ' B' ' 47' ' ' GLY . . . -67.04 163.55 19.74 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.448 -0.782 . . . . 0.0 109.921 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mmm -61.28 154.36 23.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.233 -0.917 . . . . 0.0 109.884 -179.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -137.75 149.91 46.83 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.392 -0.817 . . . . 0.0 109.262 -179.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.455 ' H ' ' H ' ' A' ' 52' ' ' GLY . . . -59.52 141.5 47.42 Favored Glycine 0 N--CA 1.486 2.001 0 N-CA-C 109.381 -1.488 . . . . 0.0 109.381 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -90.56 120.61 31.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -1.103 . . . . 0.0 109.74 -179.677 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.9 t -133.95 124.04 45.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.969 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 179.254 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 N--CA 1.494 1.736 0 O-C-N 121.055 -1.028 . . . . 0.0 109.761 179.983 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.27 0.557 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.08 -42.39 94.48 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.311 -0.868 . . . . 0.0 110.592 -179.419 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -64.14 -39.96 95.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.185 -0.947 . . . . 0.0 109.994 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.51 97.25 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 108.868 -1.693 . . . . 0.0 108.868 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 78.7 mt -66.85 -40.07 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.618 -0.931 . . . . 0.0 110.682 -179.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.97 -46.29 89.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.859 -1.15 . . . . 0.0 109.645 -179.169 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.45 -39.96 77.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.104 -0.997 . . . . 0.0 109.172 179.793 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -25.14 62.96 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.54 -0.725 . . . . 0.0 110.109 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.15 137.68 58.23 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.179 -0.951 . . . . 0.0 109.876 -178.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -158.42 165.71 34.0 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 13' ' ' GLU . 51.0 mt-10 -59.48 152.15 22.43 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.091 -1.005 . . . . 0.0 109.48 -179.829 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -62.91 78.05 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.266 -0.896 . . . . 0.0 109.428 -179.508 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 11' ' ' GLU . 75.5 mm-40 -100.59 -159.35 0.73 Allowed 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.638 -0.663 . . . . 0.0 109.38 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.01 -30.64 68.0 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.244 -0.91 . . . . 0.0 109.758 -179.685 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -60.03 -36.25 76.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.387 -0.821 . . . . 0.0 109.188 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -59.96 -40.04 87.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.052 -1.03 . . . . 0.0 109.182 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.2 p -60.06 -45.74 91.88 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.966 -1.084 . . . . 0.0 109.118 179.626 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -94.12 88.98 5.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.353 -0.842 . . . . 0.0 109.435 179.718 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.94 -29.02 66.06 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.184 -0.948 . . . . 0.0 109.684 179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' A' ' 20' ' ' ARG . 40.3 mtm-85 -60.8 -41.06 94.89 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.296 -0.878 . . . . 0.0 110.481 -178.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.22 95.06 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.963 -1.086 . . . . 0.0 109.056 -179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.8 ttp -65.37 -40.68 93.85 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.439 -0.788 . . . . 0.0 109.578 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -42.93 96.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.162 -0.961 . . . . 0.0 109.232 179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.4 m -66.26 -39.98 89.82 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.405 -0.809 . . . . 0.0 109.907 -179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.61 -40.02 95.62 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.222 -0.924 . . . . 0.0 110.025 -179.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -98.42 -0.53 43.41 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.145 -0.972 . . . . 0.0 110.111 -179.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 53.85 46.52 25.56 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.243 -0.911 . . . . 0.0 109.779 -179.832 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.9 mt -116.21 150.9 46.05 Favored Pre-proline 0 N--CA 1.497 1.92 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 179.309 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -69.35 159.93 51.78 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 121.342 1.361 . . . . 0.0 110.88 179.9 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -51.66 -21.22 10.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.362 2.042 . . . . 0.0 111.685 -179.2 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.47 -54.4 31.47 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 O-C-N 121.123 -0.986 . . . . 0.0 110.439 -178.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.6 t -65.84 -44.99 92.62 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.649 0 O-C-N 121.12 -0.988 . . . . 0.0 109.413 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.24 -45.92 89.32 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.428 -0.795 . . . . 0.0 109.85 179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -63.28 -39.34 94.3 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.154 -0.966 . . . . 0.0 110.066 179.691 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.96 -40.0 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.73 -1.232 . . . . 0.0 109.692 -179.502 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.2 -39.96 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 120.985 -1.072 . . . . 0.0 108.406 179.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.68 -39.96 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 178.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.97 -39.94 95.28 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.646 -0.659 . . . . 0.0 109.384 179.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 55.5 m -71.59 -39.98 70.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.552 -179.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 29.8 t -74.94 111.46 10.17 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.982 -1.074 . . . . 0.0 108.772 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.15 -39.92 88.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.323 -0.861 . . . . 0.0 110.674 -179.125 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.38 -40.02 89.34 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.077 -1.014 . . . . 0.0 110.375 -179.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.9 m -78.23 -27.27 47.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.023 -1.048 . . . . 0.0 110.038 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -77.11 -74.25 0.26 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.25 -0.906 . . . . 0.0 110.534 -178.544 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.4 mt -71.35 140.01 50.06 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.094 -1.004 . . . . 0.0 109.158 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -88.51 -7.67 56.12 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.083 -1.01 . . . . 0.0 109.541 -179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.42 -21.33 41.48 Favored Glycine 0 N--CA 1.498 2.829 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 97.8 mt-10 -74.64 -164.66 0.29 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.88 -1.365 . . . . 0.0 108.693 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 67.37 49.18 1.06 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.155 -0.966 . . . . 0.0 109.605 179.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 49.4 ttm -154.03 136.98 15.43 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.04 -1.037 . . . . 0.0 109.334 -179.733 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -68.12 160.02 29.82 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.166 -0.959 . . . . 0.0 109.968 -179.664 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.63 133.19 3.43 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 -179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 50.0 -150.64 0.21 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.434 -1.039 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -111.15 127.97 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.24 -0.912 . . . . 0.0 109.618 -179.737 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.493 1.69 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.384 179.322 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.0 -42.59 94.61 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.231 -0.918 . . . . 0.0 110.5 -179.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -64.06 -39.98 95.26 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.071 -1.018 . . . . 0.0 110.035 -179.17 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.44 97.12 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 108.932 -1.667 . . . . 0.0 108.932 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.91 -40.06 84.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.487 -1.008 . . . . 0.0 110.707 -179.521 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -60.04 -46.32 89.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.941 -1.099 . . . . 0.0 109.588 -179.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -69.38 -40.07 77.65 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.203 -0.936 . . . . 0.0 109.167 179.765 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.37 -25.2 63.15 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.577 -0.702 . . . . 0.0 110.168 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.14 137.69 58.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.174 -0.954 . . . . 0.0 109.88 -178.797 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -158.47 165.61 34.18 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.39 -0.819 . . . . 0.0 108.791 -179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' B' ' 13' ' ' GLU . 51.1 mt-10 -59.27 152.13 21.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -0.948 . . . . 0.0 109.57 -179.885 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -62.92 78.01 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.425 -0.797 . . . . 0.0 109.405 -179.51 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' B' ' 11' ' ' GLU . 75.6 mm-40 -100.47 -159.29 0.73 Allowed 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.632 -0.668 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.02 -30.63 67.98 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.209 -0.932 . . . . 0.0 109.772 -179.795 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -60.04 -36.19 76.75 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.313 -179.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.6 m170 -60.09 -39.93 87.83 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.092 -1.005 . . . . 0.0 109.141 -179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.3 p -60.16 -45.7 92.19 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.873 -1.142 . . . . 0.0 109.037 179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -94.08 89.01 5.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.699 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 61.8 p-90 -69.99 -29.02 66.0 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.123 -0.986 . . . . 0.0 109.664 179.802 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.405 ' NH1' ' HG3' ' B' ' 20' ' ' ARG . 40.1 mtm-85 -60.85 -40.97 94.88 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.308 -0.87 . . . . 0.0 110.508 -178.826 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.27 95.31 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.989 -1.07 . . . . 0.0 109.093 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -65.3 -40.74 94.19 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.443 -0.786 . . . . 0.0 109.617 179.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.15 -42.92 96.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.081 -1.012 . . . . 0.0 109.229 179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -66.25 -39.99 89.86 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.391 -0.818 . . . . 0.0 109.896 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.56 -40.01 95.48 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.226 -0.921 . . . . 0.0 110.149 -179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -98.57 -0.42 43.22 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.198 -0.939 . . . . 0.0 109.989 -179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 53.85 46.42 25.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.242 -0.911 . . . . 0.0 109.76 -179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 81.4 mt -116.12 150.86 45.9 Favored Pre-proline 0 N--CA 1.498 1.927 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 179.336 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -69.24 159.97 51.7 Favored 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 121.303 1.336 . . . . 0.0 110.917 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -51.66 -21.27 10.79 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.361 2.04 . . . . 0.0 111.768 -179.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -57.44 -54.41 31.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.072 -1.017 . . . . 0.0 110.39 -178.948 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.85 -45.07 92.39 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.111 -0.993 . . . . 0.0 109.388 -179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.16 -45.85 89.9 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.316 -0.865 . . . . 0.0 109.965 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.4 mttm -63.32 -39.23 93.98 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.121 -0.987 . . . . 0.0 110.105 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.5 tm-20 -60.04 -39.96 87.74 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.633 -1.292 . . . . 0.0 109.634 -179.472 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 88.5 mt -60.21 -40.05 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 120.968 -1.082 . . . . 0.0 108.458 179.659 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.6 -40.0 85.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.475 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 178.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.96 -39.95 95.32 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.611 -0.68 . . . . 0.0 109.32 179.804 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 55.8 m -71.57 -40.04 70.21 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.057 -1.027 . . . . 0.0 109.535 -179.7 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 29.9 t -74.96 111.37 10.11 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.958 -1.089 . . . . 0.0 108.776 179.377 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.13 -39.96 88.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.347 -0.845 . . . . 0.0 110.549 -179.069 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -60.26 -39.92 88.49 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.155 -0.966 . . . . 0.0 110.513 -179.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 58.8 m -78.27 -27.39 47.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.938 -1.101 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -77.02 -74.36 0.25 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.243 -0.91 . . . . 0.0 110.619 -178.549 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.2 mt -71.28 140.04 50.19 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.126 -0.984 . . . . 0.0 109.175 -179.838 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -88.45 -7.47 56.52 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.038 -1.039 . . . . 0.0 109.547 -179.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.24 -21.28 42.0 Favored Glycine 0 N--CA 1.499 2.891 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.558 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 97.7 mt-10 -74.79 -164.69 0.3 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.861 -1.376 . . . . 0.0 108.688 179.24 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 67.49 48.94 1.05 Allowed 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.116 -0.99 . . . . 0.0 109.628 179.846 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 49.3 ttm -153.95 136.83 15.38 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.121 -0.987 . . . . 0.0 109.42 -179.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -68.05 159.92 29.84 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.187 -0.945 . . . . 0.0 109.93 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -157.59 133.26 3.47 Favored Glycine 0 N--CA 1.492 2.406 0 N-CA-C 109.808 -1.317 . . . . 0.0 109.808 -179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 49.99 -150.56 0.21 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.391 -1.064 . . . . 0.0 109.462 -179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -111.26 127.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.358 -0.839 . . . . 0.0 109.571 -179.684 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.995 -1.002 . . . . 0.0 109.359 179.292 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.64 -40.08 84.61 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.494 -0.754 . . . . 0.0 109.902 -179.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.51 -43.14 99.53 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.171 -0.956 . . . . 0.0 110.383 -179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.39 97.32 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 108.812 -1.715 . . . . 0.0 108.812 179.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.1 mt -67.76 -40.07 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.641 -0.917 . . . . 0.0 110.327 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -59.98 -48.61 81.01 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 -178.538 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.79 -40.02 79.85 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.854 -1.154 . . . . 0.0 109.649 179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.02 -28.77 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.407 -0.808 . . . . 0.0 110.017 179.862 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.49 137.6 58.29 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.172 -0.955 . . . . 0.0 109.782 -178.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -169.9 163.93 9.62 Favored 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.648 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.34 170.0 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.966 -1.084 . . . . 0.0 109.513 -179.436 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -70.15 79.02 0.51 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.099 -1.001 . . . . 0.0 110.29 -178.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -77.13 170.56 16.32 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 179.045 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -63.9 -28.16 69.65 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 50.0 m-85 -60.3 -24.34 64.9 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.397 -0.814 . . . . 0.0 110.117 179.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.74 -39.91 86.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.805 -1.184 . . . . 0.0 109.39 -179.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.1 p -60.42 -43.08 97.11 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.771 -1.206 . . . . 0.0 108.9 179.346 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -92.62 85.0 5.14 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.162 -0.961 . . . . 0.0 109.288 179.161 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 44.0 p-90 -70.14 -26.74 64.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.242 -0.911 . . . . 0.0 109.842 179.733 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.92 -41.38 96.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.115 -0.99 . . . . 0.0 109.703 -179.294 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.62 -40.07 90.54 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.385 -0.822 . . . . 0.0 109.648 -179.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.409 ' SD ' HD12 ' A' ' 36' ' ' ILE . 31.6 ttm -60.92 -43.33 98.74 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.384 -0.823 . . . . 0.0 110.013 -179.521 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -45.64 93.16 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.256 -0.902 . . . . 0.0 109.681 -179.373 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -64.77 -39.92 94.4 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.444 -0.785 . . . . 0.0 110.231 -179.585 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.72 -40.04 95.95 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.171 -0.956 . . . . 0.0 110.225 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -100.41 1.2 41.1 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.178 -0.951 . . . . 0.0 110.242 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.85 46.74 23.84 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.371 -0.831 . . . . 0.0 109.589 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 69.1 mt -118.99 151.62 50.66 Favored Pre-proline 0 N--CA 1.503 2.214 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.0 Cg_endo -70.26 148.62 62.25 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.639 1.559 . . . . 0.0 111.342 179.634 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -41.6 -20.37 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.277 1.985 . . . . 0.0 112.74 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.7 t -60.08 -50.5 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.159 -0.963 . . . . 0.0 111.035 -178.146 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -69.58 -41.52 80.36 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 O-C-N 120.874 -1.141 . . . . 0.0 109.171 -179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.36 -43.19 95.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.259 -0.9 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.72 -37.53 86.87 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.059 -1.026 . . . . 0.0 110.058 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -59.92 -40.08 87.66 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.962 -1.086 . . . . 0.0 109.616 -179.326 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 HD12 ' SD ' ' A' ' 22' ' ' MET . 94.6 mt -61.18 -40.02 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 120.842 -1.162 . . . . 0.0 108.784 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.17 -40.1 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.336 -0.853 . . . . 0.0 108.806 178.961 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.95 93.8 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.615 -0.678 . . . . 0.0 109.44 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.3 m -72.07 -39.95 68.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.185 -0.947 . . . . 0.0 109.678 -179.491 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 31.6 t -76.02 107.6 8.34 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.05 -39.83 87.3 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.458 -0.776 . . . . 0.0 109.866 -179.311 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.05 -39.96 87.79 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.344 -0.847 . . . . 0.0 109.943 -178.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 59.9 m -75.9 -32.38 59.62 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.987 -1.07 . . . . 0.0 109.582 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.533 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 57.9 tt0 -79.41 -70.01 0.54 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.327 -0.858 . . . . 0.0 111.362 -177.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.36 114.45 11.59 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.097 -1.002 . . . . 0.0 110.38 -178.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -86.3 -45.72 10.99 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.409 -0.807 . . . . 0.0 109.319 178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.22 41.5 0.16 Allowed Glycine 0 N--CA 1.497 2.716 0 N-CA-C 109.316 -1.513 . . . . 0.0 109.316 -179.656 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.04 -23.92 65.94 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.168 -1.195 . . . . 0.0 109.407 -179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.99 -163.44 0.09 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.514 -0.741 . . . . 0.0 110.073 179.463 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.7 ttp -146.72 -68.22 0.26 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.23 -0.919 . . . . 0.0 109.932 -179.4 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.716 ' CD2' ' H ' ' A' ' 52' ' ' GLY . 48.0 t60 58.18 -150.71 0.43 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.395 -0.815 . . . . 0.0 109.219 -179.617 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.716 ' H ' ' CD2' ' A' ' 51' ' ' HIS . . . 93.69 -38.94 3.02 Favored Glycine 0 N--CA 1.494 2.542 0 N-CA-C 109.033 -1.627 . . . . 0.0 109.033 -179.883 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -100.81 129.33 46.67 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.499 -1.001 . . . . 0.0 109.482 179.663 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.2 t -106.31 120.67 57.74 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.551 -0.718 . . . . 0.0 109.107 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.584 -179.603 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 84.5 mt -67.4 -40.02 85.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.441 -0.787 . . . . 0.0 110.069 -179.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -62.78 -43.19 99.44 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.212 -0.93 . . . . 0.0 110.293 -179.293 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -39.59 97.51 Favored Glycine 0 N--CA 1.49 2.234 0 N-CA-C 108.846 -1.702 . . . . 0.0 108.846 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.57 -40.0 83.4 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.62 -0.929 . . . . 0.0 110.414 -179.801 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -59.98 -48.64 80.88 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.121 -0.987 . . . . 0.0 109.929 -178.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -68.75 -40.11 79.95 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.844 -1.16 . . . . 0.0 109.658 179.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.92 -28.85 65.94 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.454 -0.779 . . . . 0.0 110.081 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -62.4 137.74 58.32 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.21 -0.931 . . . . 0.0 109.774 -178.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -169.93 164.0 9.58 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.792 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -49.51 169.94 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.892 -1.13 . . . . 0.0 109.491 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -69.99 79.04 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.107 -0.996 . . . . 0.0 110.347 -178.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 67.6 mt-10 -77.08 170.67 16.11 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -64.08 -27.92 69.43 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.158 -1.052 . . . . 0.0 108.158 179.634 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -60.55 -23.97 65.03 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.3 -0.875 . . . . 0.0 110.072 179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.747 -1.22 . . . . 0.0 109.277 -179.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 90.5 p -60.46 -42.98 97.32 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.947 -1.096 . . . . 0.0 108.793 179.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -92.77 84.79 5.04 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.167 -0.958 . . . . 0.0 109.397 179.095 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.3 p-90 -70.07 -26.57 64.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.282 -0.886 . . . . 0.0 109.874 179.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 61.6 mtp180 -60.89 -41.01 95.18 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.19 -0.944 . . . . 0.0 109.837 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.93 -39.96 91.42 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.349 -0.845 . . . . 0.0 109.651 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.429 ' SD ' HD12 ' B' ' 36' ' ' ILE . 31.9 ttm -61.08 -43.27 99.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.38 -0.825 . . . . 0.0 109.875 -179.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.6 -45.28 94.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.341 -0.849 . . . . 0.0 109.762 -179.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.5 m -65.25 -40.03 93.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.425 -0.797 . . . . 0.0 110.197 -179.46 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -62.59 -40.01 95.55 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.163 -0.96 . . . . 0.0 110.353 -179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -100.25 1.43 41.77 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.294 -0.879 . . . . 0.0 110.338 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.48 46.82 24.13 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.311 -0.868 . . . . 0.0 109.642 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 69.3 mt -118.99 151.42 50.39 Favored Pre-proline 0 N--CA 1.504 2.234 0 O-C-N 121.419 -0.8 . . . . 0.0 108.867 179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.5 Cg_endo -70.11 148.56 63.1 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.628 1.552 . . . . 0.0 111.407 179.664 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -41.59 -20.4 0.11 Allowed 'Trans proline' 0 N--CA 1.493 1.453 0 C-N-CA 122.301 2.001 . . . . 0.0 112.688 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 64.6 t -60.02 -50.71 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 121.148 -0.97 . . . . 0.0 110.903 -178.294 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -69.24 -41.8 81.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.586 0 O-C-N 120.868 -1.145 . . . . 0.0 109.129 -179.475 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.13 -43.26 95.83 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.354 -0.841 . . . . 0.0 109.826 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -62.67 -37.76 87.7 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.059 -1.026 . . . . 0.0 109.918 179.431 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -59.92 -40.08 87.63 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.931 -1.106 . . . . 0.0 109.455 -179.253 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.429 HD12 ' SD ' ' B' ' 22' ' ' MET . 95.2 mt -60.91 -40.07 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.778 -1.202 . . . . 0.0 108.813 179.571 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.21 -40.01 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 179.186 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.489 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.28 -39.81 93.08 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.696 -0.628 . . . . 0.0 109.462 -179.744 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -72.21 -39.96 68.19 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.173 -0.954 . . . . 0.0 109.622 -179.702 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 33.6 t -75.99 107.64 8.33 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.054 -1.029 . . . . 0.0 108.285 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.447 -0.783 . . . . 0.0 109.857 -179.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -60.01 -40.08 87.99 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.378 -0.826 . . . . 0.0 110.034 -178.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 59.6 m -75.84 -32.16 59.66 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.002 -1.061 . . . . 0.0 109.694 179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.533 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 7.4 tt0 -79.55 -70.01 0.54 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.463 -0.773 . . . . 0.0 111.318 -177.899 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 82.6 mt -73.54 114.36 11.69 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.103 -0.998 . . . . 0.0 110.33 -178.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -86.23 -45.7 11.05 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.476 -0.765 . . . . 0.0 109.27 178.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.24 41.17 0.16 Allowed Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.436 -1.465 . . . . 0.0 109.436 -179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.72 -23.8 66.15 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.183 -1.187 . . . . 0.0 109.459 -179.775 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.83 -163.5 0.09 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.506 -0.746 . . . . 0.0 110.069 179.503 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.4 ttp -146.66 -68.24 0.26 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.147 -0.971 . . . . 0.0 109.851 -179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.728 ' CD2' ' H ' ' B' ' 52' ' ' GLY . 48.5 t60 58.13 -150.54 0.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.877 . . . . 0.0 109.218 -179.54 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.728 ' H ' ' CD2' ' B' ' 51' ' ' HIS . . . 93.55 -38.75 3.08 Favored Glycine 0 N--CA 1.494 2.561 0 N-CA-C 109.053 -1.619 . . . . 0.0 109.053 -179.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -100.93 129.53 46.8 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.371 -1.076 . . . . 0.0 109.461 179.617 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 87.2 t -106.4 120.72 57.95 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 118.095 -0.955 . . . . 0.0 108.578 -179.572 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 121.488 0.661 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.4 mt -61.76 -42.44 98.99 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.705 -0.622 . . . . 0.0 111.031 -178.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.02 -40.61 98.27 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.929 -1.107 . . . . 0.0 109.83 -179.35 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.64 -40.06 98.23 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 108.845 -1.702 . . . . 0.0 108.845 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.66 -40.71 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.671 -0.899 . . . . 0.0 110.551 -179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -59.84 -46.59 88.8 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.797 -1.19 . . . . 0.0 110.022 -178.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -68.16 -40.31 82.36 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.06 -1.025 . . . . 0.0 109.172 -179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.21 -28.59 65.41 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.435 -0.791 . . . . 0.0 110.145 179.45 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.33 140.2 58.04 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.334 -0.854 . . . . 0.0 109.833 -178.766 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -165.89 -179.79 5.45 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 -179.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 13' ' ' GLU . 88.2 tt0 -61.44 152.1 30.76 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.666 -1.271 . . . . 0.0 109.898 -179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.455 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 64.4 t60 -64.02 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 CA-C-O 121.61 0.719 . . . . 0.0 110.076 -179.434 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.8 mt-10 -84.35 -165.64 1.22 Allowed 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.668 -0.645 . . . . 0.0 109.602 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -70.12 -29.3 66.21 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.733 -0.604 . . . . 0.0 109.465 179.564 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.5 m-85 -58.25 -32.49 68.41 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.426 -0.796 . . . . 0.0 109.919 -178.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -59.86 -40.23 87.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.681 -1.262 . . . . 0.0 108.463 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 55.4 p -62.49 -47.15 85.22 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.173 -0.954 . . . . 0.0 109.264 179.263 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -93.04 82.17 4.59 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.3 p-90 -69.68 -27.72 65.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.185 -0.947 . . . . 0.0 109.924 -179.247 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.69 -40.3 94.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.039 -1.038 . . . . 0.0 110.419 -179.239 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -42.53 96.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.799 -1.188 . . . . 0.0 109.397 179.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 58.7 ttp -63.34 -41.36 98.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.226 -0.922 . . . . 0.0 110.032 -179.746 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.01 -44.06 97.51 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.071 -1.018 . . . . 0.0 109.586 -179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.8 m -68.67 -39.84 80.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.381 -0.825 . . . . 0.0 110.068 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -60.83 -41.29 95.47 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.191 -0.943 . . . . 0.0 110.201 -179.427 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -98.42 1.18 46.57 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.101 -1.0 . . . . 0.0 109.287 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 55.2 43.2 29.71 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.422 -0.799 . . . . 0.0 110.583 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.5 mt -111.85 150.24 42.01 Favored Pre-proline 0 N--CA 1.503 2.196 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 179.321 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' VAL . 42.1 Cg_endo -68.77 148.96 72.48 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.416 1.41 . . . . 0.0 111.292 179.825 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.43 -20.4 0.14 Allowed 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 122.072 1.848 . . . . 0.0 112.041 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 29' ' ' PRO . 74.2 t -59.62 -52.05 65.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.142 -0.974 . . . . 0.0 111.118 -177.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -68.97 -41.42 81.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 120.894 -1.129 . . . . 0.0 109.192 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.43 -43.68 93.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.423 -0.798 . . . . 0.0 110.126 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -63.77 -40.16 96.0 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.083 -1.011 . . . . 0.0 109.725 179.889 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -61.41 -41.03 96.51 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.945 -1.097 . . . . 0.0 110.096 -179.633 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.99 -40.49 89.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 179.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.76 -40.23 87.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.452 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -30.37 69.03 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.561 -0.712 . . . . 0.0 109.892 -179.06 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.6 m -70.37 -38.44 74.75 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.064 -1.022 . . . . 0.0 109.414 -179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.0 t -74.4 110.68 8.89 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.17 -0.956 . . . . 0.0 108.881 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.04 -39.89 87.51 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 121.584 0.706 . . . . 0.0 109.983 -179.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -59.67 -39.63 85.1 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.01 -1.056 . . . . 0.0 109.479 -178.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 57.9 m -76.84 -47.47 21.3 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.097 -1.002 . . . . 0.0 110.566 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -64.68 -60.13 3.46 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.322 -0.861 . . . . 0.0 110.863 -178.02 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.1 mt -74.81 150.06 39.43 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.223 -0.923 . . . . 0.0 108.803 -179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' NZ ' ' CB ' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -83.59 -9.85 58.64 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.394 -0.816 . . . . 0.0 109.662 -179.666 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.87 -131.43 8.47 Favored Glycine 0 N--CA 1.497 2.722 0 N-CA-C 109.26 -1.536 . . . . 0.0 109.26 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -73.98 139.75 45.04 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.24 -1.153 . . . . 0.0 109.786 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.92 -57.95 0.35 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.27 -0.894 . . . . 0.0 108.904 179.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.6 tpp -61.66 140.32 58.18 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.444 ' O ' ' CG ' ' A' ' 51' ' ' HIS . 38.5 p-80 -67.25 112.22 4.39 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.962 -1.086 . . . . 0.0 109.151 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.65 -79.19 0.96 Allowed Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.846 -1.301 . . . . 0.0 109.846 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -113.01 130.4 56.15 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.648 -0.913 . . . . 0.0 109.12 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.9 m -136.13 15.81 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.95 0 O-C-N 121.102 -0.999 . . . . 0.0 109.299 -179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 55' ' ' ASP . 10.0 p-10 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.32 -179.727 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 121.631 0.729 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.96 -42.99 99.33 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.456 -0.777 . . . . 0.0 111.131 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.28 -41.44 98.49 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.175 -0.953 . . . . 0.0 109.977 -179.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.36 -39.92 97.92 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 179.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 54.1 mt -66.53 -40.45 86.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 O-C-N 121.461 -1.023 . . . . 0.0 110.662 -179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 44.6 m-20 -60.19 -46.11 90.84 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.905 -1.122 . . . . 0.0 110.091 -178.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -68.08 -40.2 82.74 Favored 'General case' 0 C--N 1.302 -1.478 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.755 -179.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.63 -29.4 65.76 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.352 -0.842 . . . . 0.0 109.916 179.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -61.14 140.28 57.93 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.465 -0.772 . . . . 0.0 109.352 -178.724 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -166.0 179.98 5.52 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -179.305 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' B' ' 13' ' ' GLU . 88.5 tt0 -60.95 152.6 27.26 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.77 -1.206 . . . . 0.0 109.849 -179.732 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 62.8 t60 -64.88 72.66 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.535 -0.728 . . . . 0.0 109.58 -179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' B' ' 11' ' ' GLU . 60.6 mt-10 -85.86 -165.03 1.12 Allowed 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.57 0.7 . . . . 0.0 109.482 179.607 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.96 -29.6 66.75 Favored 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.338 0.589 . . . . 0.0 109.48 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -56.85 -33.35 66.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.257 -0.902 . . . . 0.0 109.952 -179.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -59.4 -40.61 87.15 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.91 -1.119 . . . . 0.0 108.748 179.467 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 57.8 p -62.08 -48.13 81.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.031 -1.043 . . . . 0.0 109.143 179.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.0 m120 -92.62 83.73 4.94 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.346 -0.846 . . . . 0.0 108.756 178.773 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -70.17 -28.63 65.48 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.292 -0.88 . . . . 0.0 109.776 -179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -61.19 -40.21 93.05 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.273 -0.892 . . . . 0.0 110.281 -179.069 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.89 97.27 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.67 -1.269 . . . . 0.0 109.137 -179.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 56.6 ttp -62.94 -42.41 99.8 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.243 -0.91 . . . . 0.0 109.866 -179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.89 -44.76 96.66 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 121.02 -1.05 . . . . 0.0 109.909 -179.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.9 m -67.72 -40.47 84.26 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.119 -0.988 . . . . 0.0 109.943 -179.648 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.57 -41.13 93.99 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.318 -0.863 . . . . 0.0 110.091 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -98.66 0.94 45.72 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.243 -0.91 . . . . 0.0 109.674 179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 55.89 40.8 30.51 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.428 -0.795 . . . . 0.0 110.695 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 39.0 mt -109.84 150.49 41.41 Favored Pre-proline 0 N--CA 1.501 2.101 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.323 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.0 Cg_endo -68.58 149.24 73.9 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 121.597 1.531 . . . . 0.0 111.178 179.262 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -43.33 -20.06 0.19 Allowed 'Trans proline' 0 N--CA 1.492 1.403 0 C-N-CA 121.756 1.637 . . . . 0.0 112.176 179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.2 t -59.92 -51.54 71.67 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.199 -0.938 . . . . 0.0 110.901 -178.222 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.97 -40.85 81.47 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 120.925 -1.11 . . . . 0.0 109.198 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.69 -44.12 91.32 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.181 -0.949 . . . . 0.0 110.189 179.861 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -63.08 -40.03 96.45 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.991 -1.068 . . . . 0.0 109.671 179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -61.57 -41.2 97.05 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.155 -0.966 . . . . 0.0 109.943 -179.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -40.69 89.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 179.693 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.81 -39.87 86.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.42 -29.88 67.7 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.595 -0.691 . . . . 0.0 109.996 -178.799 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 45.0 m -71.0 -37.75 72.67 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.132 -0.98 . . . . 0.0 109.283 179.848 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 9.1 t -74.21 110.29 8.38 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.289 -0.882 . . . . 0.0 109.05 179.852 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -59.98 -39.44 85.69 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.663 -0.648 . . . . 0.0 110.258 -179.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -59.85 -38.91 83.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.105 -0.997 . . . . 0.0 109.545 -179.191 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 57.8 m -77.82 -47.07 19.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 110.727 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -65.02 -59.97 3.56 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.29 -0.881 . . . . 0.0 110.679 -177.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.63 150.43 39.62 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.312 -0.868 . . . . 0.0 109.02 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -9.35 58.68 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.236 -0.915 . . . . 0.0 109.384 -179.761 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.86 -129.79 7.79 Favored Glycine 0 N--CA 1.497 2.706 0 N-CA-C 109.394 -1.482 . . . . 0.0 109.394 179.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -75.43 139.85 42.55 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.369 -1.077 . . . . 0.0 109.307 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -145.61 -56.73 0.31 Allowed 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 45.4 tpp -63.36 140.41 58.87 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.453 ' O ' ' CG ' ' B' ' 51' ' ' HIS . 33.9 p-80 -67.06 111.78 4.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.096 -1.002 . . . . 0.0 109.553 -179.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -81.78 -80.65 0.91 Allowed Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 25.4 mm100 -111.59 128.98 56.21 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.57 -0.959 . . . . 0.0 109.098 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 30.7 m -135.43 15.1 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.472 -0.767 . . . . 0.0 109.388 -179.698 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' B' ' 55' ' ' ASP . 8.7 p-10 . . . . . 0 N--CA 1.494 1.741 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.807 -179.71 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.576 0.703 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.1 mt -61.38 -40.15 93.26 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.642 -0.661 . . . . 0.0 110.222 -179.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -65.07 -40.36 94.55 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.146 -0.971 . . . . 0.0 110.551 -179.312 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.02 98.7 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 108.653 -1.779 . . . . 0.0 108.653 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.92 -40.05 82.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 121.556 -0.967 . . . . 0.0 109.998 -179.642 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -60.0 -50.09 75.12 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.269 -0.894 . . . . 0.0 110.332 -178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.38 -40.04 81.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.021 -1.05 . . . . 0.0 109.217 -179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -23.91 63.16 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.638 -179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.96 140.11 58.35 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.934 -1.104 . . . . 0.0 109.769 -179.033 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -168.92 158.38 8.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.51 -0.744 . . . . 0.0 109.399 -179.348 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 13' ' ' GLU . 43.0 tt0 -46.48 157.13 0.15 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.257 -0.902 . . . . 0.0 109.867 -179.638 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.1 t60 -66.89 67.67 0.06 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.0 109.779 -179.431 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 68.7 mm-40 -82.34 -165.32 0.99 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.322 -0.861 . . . . 0.0 109.968 179.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -69.99 -28.84 65.85 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -59.89 -33.71 72.2 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.216 -0.927 . . . . 0.0 109.736 -179.404 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.6 m170 -59.88 -40.58 89.18 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.844 -1.16 . . . . 0.0 108.847 -179.725 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.0 p -61.09 -43.04 99.49 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 120.889 -1.132 . . . . 0.0 108.356 179.133 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.63 81.52 3.88 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.366 -0.834 . . . . 0.0 109.296 179.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -69.94 -27.6 64.89 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.197 -0.94 . . . . 0.0 109.802 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -60.92 -40.11 91.93 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.019 -1.051 . . . . 0.0 109.784 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.69 -42.09 99.46 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.267 -0.896 . . . . 0.0 109.788 -179.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.4 ttp -62.15 -41.03 97.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.239 -0.913 . . . . 0.0 109.836 -179.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.05 96.25 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.141 -0.974 . . . . 0.0 108.937 179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.1 t -69.06 -40.17 78.69 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.388 -0.82 . . . . 0.0 109.605 179.894 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.371 -0.831 . . . . 0.0 110.055 -179.589 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -100.29 2.6 42.79 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.346 -0.846 . . . . 0.0 110.507 -179.552 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.4 m120 53.21 46.52 26.35 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.054 -1.029 . . . . 0.0 110.355 179.417 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.3 mt -118.51 151.91 50.34 Favored Pre-proline 0 N--CA 1.504 2.247 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.185 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.6 Cg_endo -70.91 150.21 60.83 Favored 'Trans proline' 0 N--CA 1.49 1.312 0 C-N-CA 121.407 1.405 . . . . 0.0 111.083 179.725 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -42.44 -18.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 121.877 1.718 . . . . 0.0 111.842 179.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.3 t -60.12 -51.58 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.06 -1.025 . . . . 0.0 110.933 -178.321 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.03 -40.21 80.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 O-C-N 120.93 -1.106 . . . . 0.0 109.096 179.882 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.78 -40.82 97.6 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.443 -0.786 . . . . 0.0 109.823 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -61.53 -40.08 93.38 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.021 -1.049 . . . . 0.0 110.275 179.857 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.11 -41.22 92.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.896 -1.128 . . . . 0.0 109.668 -179.265 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 77.9 mt -64.41 -40.15 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.021 -1.049 . . . . 0.0 108.548 179.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.06 -41.34 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 O-C-N 121.488 -0.757 . . . . 0.0 109.199 179.268 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.1 -31.52 69.12 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.336 -0.853 . . . . 0.0 109.466 179.744 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.2 m -73.18 -37.32 66.57 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.286 -0.884 . . . . 0.0 109.503 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.3 t -74.02 111.39 9.13 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.102 -0.999 . . . . 0.0 108.831 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -60.21 -39.98 88.52 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.504 -0.748 . . . . 0.0 110.091 -179.248 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -59.97 -40.03 87.69 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.169 -0.957 . . . . 0.0 110.409 -179.22 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.3 m -75.57 -33.35 60.61 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.839 -1.163 . . . . 0.0 110.438 -179.623 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -79.74 -70.18 0.53 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.18 -0.95 . . . . 0.0 110.948 -177.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.2 mt -76.39 124.65 27.87 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.007 -1.058 . . . . 0.0 109.881 -179.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' O ' ' O ' ' A' ' 47' ' ' GLY . 7.1 ptmm? -96.65 119.25 34.78 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.344 -0.848 . . . . 0.0 109.487 179.321 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 46' ' ' LYS . . . 50.79 176.39 0.02 OUTLIER Glycine 0 N--CA 1.498 2.77 0 N-CA-C 110.31 -1.116 . . . . 0.0 110.31 179.659 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -86.33 150.75 24.12 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.176 -1.191 . . . . 0.0 110.095 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.97 142.42 58.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.298 -0.876 . . . . 0.0 109.468 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -170.0 131.72 1.05 Allowed 'General case' 0 N--CA 1.495 1.805 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.62 ' H ' ' H ' ' B' ' 51' ' ' HIS . 75.0 t60 -60.09 -40.42 89.54 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.963 -1.085 . . . . 0.0 109.804 -179.667 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.78 -162.88 12.24 Favored Glycine 0 N--CA 1.502 3.053 0 N-CA-C 110.155 -1.178 . . . . 0.0 110.155 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -71.64 142.66 49.93 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.618 -0.931 . . . . 0.0 110.156 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 54' ' ' VAL . 13.8 p -99.38 -0.49 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.479 -0.763 . . . . 0.0 109.07 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 64.5 t0 . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.542 -179.892 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.488 1.474 0 CA-C-O 121.487 0.661 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 65.1 mt -61.55 -40.2 93.83 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.637 -0.665 . . . . 0.0 110.327 -179.414 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -65.04 -40.22 94.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.189 -0.944 . . . . 0.0 110.523 -179.351 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.79 -40.0 98.68 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 108.802 -1.719 . . . . 0.0 108.802 179.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.87 -40.11 82.95 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.726 -0.867 . . . . 0.0 110.101 -179.786 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.02 -49.98 75.55 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.211 -0.93 . . . . 0.0 110.442 -179.061 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -68.25 -39.99 82.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.923 -1.111 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.24 -24.35 63.07 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.388 -0.82 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.58 140.01 58.18 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.088 -1.008 . . . . 0.0 109.749 -179.152 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -168.88 158.7 9.0 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.523 -0.736 . . . . 0.0 109.25 -179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' B' ' 13' ' ' GLU . 42.6 tt0 -46.85 157.49 0.15 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.267 -0.896 . . . . 0.0 109.826 -179.545 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.44 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.1 t60 -67.22 67.56 0.08 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.397 -0.814 . . . . 0.0 109.741 -179.383 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 11' ' ' GLU . 67.7 mm-40 -82.33 -165.16 0.95 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.308 -0.87 . . . . 0.0 109.88 179.848 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -70.02 -28.72 65.71 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.388 -0.82 . . . . 0.0 109.629 -179.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -59.79 -33.96 72.39 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.342 -0.849 . . . . 0.0 109.789 -179.524 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -60.03 -40.4 89.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.636 -1.29 . . . . 0.0 108.787 -179.444 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.4 p -61.15 -43.2 99.25 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.939 -1.101 . . . . 0.0 108.475 179.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 35.5 m120 -94.23 81.84 4.07 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.237 -0.914 . . . . 0.0 109.212 179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.7 p-90 -70.04 -28.02 65.13 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.206 -0.934 . . . . 0.0 109.88 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -60.76 -40.09 91.19 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.042 -1.036 . . . . 0.0 109.789 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.16 99.23 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.111 -0.993 . . . . 0.0 109.913 -179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 47.9 ttp -62.48 -41.01 98.5 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.202 -0.936 . . . . 0.0 109.915 -179.778 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.17 96.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.069 -1.02 . . . . 0.0 108.947 179.564 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.4 t -68.93 -40.12 79.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.186 -0.946 . . . . 0.0 109.738 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -61.61 -40.0 93.27 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.266 -0.896 . . . . 0.0 109.94 -179.637 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -100.11 2.31 43.03 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.36 -0.838 . . . . 0.0 110.53 -179.518 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.3 m120 53.49 46.32 26.41 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.097 -1.002 . . . . 0.0 110.362 179.464 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -118.4 151.74 49.95 Favored Pre-proline 0 N--CA 1.504 2.274 0 N-CA-C 108.104 -1.072 . . . . 0.0 108.104 179.218 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.506 ' O ' ' N ' ' B' ' 31' ' ' VAL . 56.7 Cg_endo -70.73 150.01 61.59 Favored 'Trans proline' 0 C--N 1.312 -1.388 0 C-N-CA 121.482 1.455 . . . . 0.0 111.179 179.742 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -42.14 -18.46 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.836 1.691 . . . . 0.0 111.753 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.506 ' N ' ' O ' ' B' ' 29' ' ' PRO . 73.0 t -59.68 -51.74 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.045 -1.035 . . . . 0.0 111.087 -178.279 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.29 -39.98 79.68 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.495 0 O-C-N 121.076 -1.015 . . . . 0.0 109.183 -179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.83 -40.71 97.25 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.425 -0.797 . . . . 0.0 109.831 179.941 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -61.84 -39.82 93.14 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.071 -1.018 . . . . 0.0 110.368 179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -60.03 -41.57 92.54 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.9 -1.125 . . . . 0.0 109.557 -179.562 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.18 -40.06 87.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.959 -1.088 . . . . 0.0 108.666 179.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -66.1 -41.19 89.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.456 -0.777 . . . . 0.0 109.305 179.175 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.01 -31.63 69.4 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.454 -0.779 . . . . 0.0 109.485 179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 59.3 m -73.17 -37.47 66.53 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.451 -0.781 . . . . 0.0 109.516 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.7 t -73.96 111.19 8.88 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.132 -0.98 . . . . 0.0 108.888 179.747 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.176 -179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.09 -39.94 87.87 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 110.171 -179.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 63.6 m -75.82 -33.23 60.08 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.879 -1.138 . . . . 0.0 110.487 -179.487 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -79.86 -70.01 0.55 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.174 -0.954 . . . . 0.0 110.947 -177.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 74.7 mt -76.63 124.39 27.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.152 -0.968 . . . . 0.0 109.924 -179.279 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.44 ' O ' ' O ' ' B' ' 47' ' ' GLY . 7.3 ptmm? -96.49 119.37 34.84 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 109.437 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' B' ' 46' ' ' LYS . . . 50.58 176.46 0.02 OUTLIER Glycine 0 N--CA 1.495 2.595 0 N-CA-C 110.488 -1.045 . . . . 0.0 110.488 179.894 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -86.12 150.84 24.14 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.161 -1.2 . . . . 0.0 110.016 -179.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.24 141.8 58.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.407 -0.808 . . . . 0.0 109.603 179.687 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -169.24 131.76 1.23 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.292 -0.88 . . . . 0.0 108.695 -179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.62 ' H ' ' H ' ' A' ' 51' ' ' HIS . 72.5 t60 -59.96 -40.47 89.13 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.953 -1.092 . . . . 0.0 109.781 -179.73 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 113.33 -162.8 12.25 Favored Glycine 0 N--CA 1.5 2.907 0 N-CA-C 110.143 -1.183 . . . . 0.0 110.143 179.541 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -71.35 142.63 50.39 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.484 -1.009 . . . . 0.0 110.217 -179.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG22 ' O ' ' B' ' 54' ' ' VAL . 14.4 p -100.01 0.06 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 179.352 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.417 -179.938 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 121.455 0.645 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 75.3 mt -60.81 -40.43 92.71 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.238 -0.914 . . . . 0.0 110.089 -179.357 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -64.02 -40.3 96.03 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.428 -0.795 . . . . 0.0 110.311 -179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.28 -33.31 73.06 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.268 -1.533 . . . . 0.0 109.268 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.4 mt -68.48 -39.22 80.35 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.613 -0.934 . . . . 0.0 110.093 179.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -60.17 -46.87 88.21 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 121.094 -1.004 . . . . 0.0 109.443 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tptp -68.95 -40.51 78.89 Favored 'General case' 0 C--N 1.294 -1.83 0 C-N-CA 119.754 -0.779 . . . . 0.0 110.118 -179.044 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.24 -30.34 68.46 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.301 -0.875 . . . . 0.0 110.333 -179.54 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -61.27 140.13 58.02 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.184 -0.948 . . . . 0.0 110.35 -178.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -172.39 172.79 4.31 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' O ' ' N ' ' A' ' 13' ' ' GLU . 78.4 mm-40 -54.99 162.25 1.36 Allowed 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.155 -0.966 . . . . 0.0 109.757 -179.297 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -65.32 72.57 0.05 OUTLIER 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.255 -0.903 . . . . 0.0 109.71 -179.475 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' O ' ' A' ' 11' ' ' GLU . 66.8 tt0 -79.21 169.96 17.35 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -62.53 -27.62 69.28 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.277 -0.89 . . . . 0.0 108.79 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -57.64 -26.17 61.22 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.201 -0.937 . . . . 0.0 109.09 179.628 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -60.21 -39.94 88.34 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.034 -1.041 . . . . 0.0 108.556 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.5 p -61.38 -41.39 97.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.961 -1.087 . . . . 0.0 109.062 179.36 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -92.73 83.56 4.86 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.17 -0.956 . . . . 0.0 108.961 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 47.1 p-90 -70.31 -25.95 63.56 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.471 -0.768 . . . . 0.0 109.495 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -61.14 -39.22 89.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.376 -0.828 . . . . 0.0 109.804 -179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.7 -42.49 97.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.04 -1.038 . . . . 0.0 109.312 179.9 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.433 ' SD ' HD12 ' A' ' 36' ' ' ILE . 37.4 ttm -60.37 -47.87 84.2 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.225 -0.922 . . . . 0.0 109.653 179.465 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.56 -40.17 96.0 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.147 -0.971 . . . . 0.0 109.41 -179.573 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.3 t -68.91 -40.25 79.23 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.413 -0.804 . . . . 0.0 109.965 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -60.58 -40.14 90.64 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.16 -0.963 . . . . 0.0 109.935 -179.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -105.41 -0.27 26.22 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.212 -0.93 . . . . 0.0 110.46 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' N ' ' O ' ' A' ' 23' ' ' ALA . 81.9 m-20 53.85 41.61 32.0 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.248 -0.907 . . . . 0.0 110.453 -179.786 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 mt -107.18 136.43 19.51 Favored Pre-proline 0 N--CA 1.501 2.101 0 O-C-N 121.125 -0.984 . . . . 0.0 108.678 179.046 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' N ' ' A' ' 31' ' ' VAL . 72.3 Cg_exo -44.91 142.65 5.06 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.488 1.459 . . . . 0.0 111.393 179.278 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -41.83 -17.35 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.864 1.709 . . . . 0.0 112.292 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 ' N ' ' O ' ' A' ' 29' ' ' PRO . 96.0 t -59.63 -50.96 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.282 -0.886 . . . . 0.0 110.877 -178.457 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.69 -45.63 91.44 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 120.896 -1.127 . . . . 0.0 108.886 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -60.91 -48.23 82.78 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.427 -0.796 . . . . 0.0 109.907 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -62.38 -39.28 92.67 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 120.998 -1.064 . . . . 0.0 110.418 -179.72 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -60.82 -40.27 92.12 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.191 -0.943 . . . . 0.0 109.274 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.433 HD12 ' SD ' ' A' ' 22' ' ' MET . 85.3 mt -64.76 -40.24 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 120.933 -1.104 . . . . 0.0 108.852 179.576 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 33' ' ' ALA . 67.3 t -62.73 -40.31 88.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.354 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.38 -29.73 68.5 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.578 -0.701 . . . . 0.0 110.067 -179.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.6 m -73.66 -34.04 64.76 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.131 -0.98 . . . . 0.0 109.954 -179.341 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 49.4 t -74.79 116.53 15.61 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.002 -1.061 . . . . 0.0 108.316 179.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -60.64 -39.84 89.76 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.314 -0.866 . . . . 0.0 109.947 -179.021 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.98 -39.48 89.81 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.55 -0.718 . . . . 0.0 110.007 -179.245 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.0 m -76.21 -38.79 55.99 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.987 -1.071 . . . . 0.0 110.475 -179.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -77.96 -70.09 0.5 Allowed 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.425 -0.797 . . . . 0.0 109.761 -177.77 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.0 mt -73.21 124.98 26.7 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.139 -0.976 . . . . 0.0 108.855 179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -93.5 124.95 37.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.098 -1.001 . . . . 0.0 109.492 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.9 -144.36 35.11 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -92.61 136.71 32.99 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.232 -1.158 . . . . 0.0 108.812 179.617 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.86 56.05 0.63 Allowed 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.333 -0.854 . . . . 0.0 109.389 -179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.4 ptm -170.0 169.82 7.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.113 -0.992 . . . . 0.0 109.611 179.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.426 ' CD2' ' CD2' ' B' ' 51' ' ' HIS . 11.7 t-160 -57.39 135.89 56.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.043 -1.035 . . . . 0.0 109.006 -179.86 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -120.3 -160.9 11.32 Favored Glycine 0 N--CA 1.498 2.825 0 N-CA-C 109.418 -1.473 . . . . 0.0 109.418 -179.549 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -65.16 142.43 58.35 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.399 -1.059 . . . . 0.0 110.139 -179.605 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.6 m -98.86 140.54 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 121.42 -0.8 . . . . 0.0 109.641 179.797 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' OXT' ' A' ' 55' ' ' ASP . 9.4 t70 . . . . . 0 N--CA 1.498 1.965 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.965 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 121.315 0.579 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 61.7 mt -61.45 -40.55 94.9 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.354 -0.841 . . . . 0.0 110.191 -179.753 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.81 -40.23 96.13 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.396 -0.815 . . . . 0.0 110.396 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.4 -33.48 68.17 Favored Glycine 0 N--CA 1.492 2.378 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 61.5 mt -67.8 -39.63 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.487 -1.007 . . . . 0.0 109.696 179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -59.55 -46.98 87.29 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.142 -0.974 . . . . 0.0 109.576 -179.132 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -68.89 -40.07 79.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.376 -0.827 . . . . 0.0 109.977 -179.284 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.54 -29.85 67.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.294 -0.879 . . . . 0.0 110.341 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? -61.84 140.18 58.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.262 -0.899 . . . . 0.0 110.584 -178.385 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -172.82 174.4 3.61 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' B' ' 13' ' ' GLU . 77.4 mm-40 -56.95 162.1 2.62 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.084 -1.01 . . . . 0.0 109.802 -179.392 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -64.94 72.51 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.429 -0.794 . . . . 0.0 109.995 -179.119 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' B' ' 11' ' ' GLU . 62.5 tt0 -79.25 171.01 15.78 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.62 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -63.08 -27.69 69.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.102 -0.999 . . . . 0.0 108.661 179.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -56.79 -26.92 58.84 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.152 -0.968 . . . . 0.0 108.991 179.383 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -59.87 -40.27 88.1 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.864 -1.147 . . . . 0.0 108.722 179.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 89.5 p -61.52 -40.39 94.47 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.986 -1.071 . . . . 0.0 109.296 179.533 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -93.26 83.33 4.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.27 -0.894 . . . . 0.0 109.28 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 43.5 p-90 -70.05 -26.18 63.91 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.479 -0.763 . . . . 0.0 110.024 -179.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -60.96 -39.9 91.33 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.349 -0.844 . . . . 0.0 109.682 -179.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -42.71 94.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.245 -0.909 . . . . 0.0 109.264 -179.541 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.414 ' SD ' HD12 ' B' ' 36' ' ' ILE . 38.6 ttm -60.22 -48.96 79.5 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.342 -0.849 . . . . 0.0 109.651 179.523 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -61.59 -40.01 93.26 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.317 -0.865 . . . . 0.0 109.414 -179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -69.09 -40.05 78.66 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.322 -0.861 . . . . 0.0 109.868 -179.749 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.85 -40.83 94.35 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.118 -0.989 . . . . 0.0 110.013 -179.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -105.02 -0.5 26.74 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.309 -0.869 . . . . 0.0 110.54 -179.161 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.518 ' N ' ' O ' ' B' ' 23' ' ' ALA . 81.4 m-20 54.06 40.86 32.06 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.21 -0.931 . . . . 0.0 110.72 -179.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 41.8 mt -106.28 135.92 19.41 Favored Pre-proline 0 N--CA 1.504 2.247 0 O-C-N 121.131 -0.98 . . . . 0.0 108.757 179.016 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.521 ' O ' ' N ' ' B' ' 31' ' ' VAL . 86.3 Cg_exo -44.44 142.77 4.26 Favored 'Trans proline' 0 N--CA 1.491 1.334 0 C-N-CA 121.446 1.431 . . . . 0.0 111.536 179.331 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -42.13 -17.24 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 121.926 1.751 . . . . 0.0 112.054 179.203 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.521 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.0 t -59.79 -50.52 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.909 . . . . 0.0 110.661 -178.322 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.77 -45.74 90.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 O-C-N 121.008 -1.057 . . . . 0.0 109.041 -179.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.425 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -60.84 -48.52 81.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.324 -0.86 . . . . 0.0 110.039 179.905 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -61.79 -39.69 92.59 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.078 -1.014 . . . . 0.0 110.199 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.56 -39.96 89.9 Favored 'General case' 0 C--N 1.303 -1.437 0 C-N-CA 119.537 -0.865 . . . . 0.0 109.797 -179.312 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.414 HD12 ' SD ' ' B' ' 22' ' ' MET . 82.8 mt -65.46 -39.98 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.862 -1.149 . . . . 0.0 108.807 179.677 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 33' ' ' ALA . 80.9 t -62.82 -39.94 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.124 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.93 -28.9 67.07 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.507 -0.746 . . . . 0.0 110.266 -179.388 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 20.0 m -74.82 -33.53 62.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.071 -1.018 . . . . 0.0 109.826 -179.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 46.9 t -74.04 116.71 14.98 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.015 -1.053 . . . . 0.0 108.454 179.212 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -60.09 -39.97 87.98 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.235 -0.916 . . . . 0.0 109.86 -179.104 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.07 -39.67 93.19 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.467 -0.77 . . . . 0.0 110.254 -178.844 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 65.5 m -75.6 -39.03 58.55 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.868 -1.145 . . . . 0.0 110.27 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -77.16 -70.02 0.49 Allowed 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.534 -0.729 . . . . 0.0 110.113 -177.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.4 mt -74.76 123.54 25.15 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.099 -1.001 . . . . 0.0 109.023 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -91.71 124.81 36.13 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.095 -1.003 . . . . 0.0 109.797 -179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 55.4 -143.08 35.42 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.686 -1.366 . . . . 0.0 109.686 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -93.5 136.54 33.68 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.197 -1.178 . . . . 0.0 108.884 179.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.75 54.96 0.64 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.48 -0.762 . . . . 0.0 109.444 -179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 18.1 ptm -170.01 170.5 7.54 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.421 -0.799 . . . . 0.0 109.406 -179.684 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.426 ' CD2' ' CD2' ' A' ' 51' ' ' HIS . 11.6 t-160 -58.18 137.44 57.02 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.094 -1.004 . . . . 0.0 109.253 -179.517 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.95 -162.59 11.65 Favored Glycine 0 N--CA 1.498 2.768 0 N-CA-C 109.626 -1.389 . . . . 0.0 109.626 -179.446 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.63 144.31 56.38 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.378 -1.072 . . . . 0.0 109.853 -179.496 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -100.33 140.34 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.497 -0.752 . . . . 0.0 109.323 179.561 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 N--CA 1.498 1.932 0 O-C-N 121.104 -0.998 . . . . 0.0 109.619 -179.829 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.494 1.732 0 CA-C-O 121.632 0.73 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 81.3 mt -60.6 -40.05 90.39 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.537 -0.727 . . . . 0.0 109.932 -178.821 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -63.33 -40.6 97.75 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.142 -0.974 . . . . 0.0 110.175 -179.401 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.97 -36.58 92.44 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 -179.712 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 68.6 mt -67.43 -40.6 84.89 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.429 -1.042 . . . . 0.0 110.398 -179.421 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.13 -52.53 64.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.025 -1.047 . . . . 0.0 109.922 -179.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 52.5 tptt -69.66 -39.99 76.71 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.515 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.55 -36.42 76.33 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.164 -0.96 . . . . 0.0 109.693 179.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -62.89 134.54 56.38 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.988 -1.07 . . . . 0.0 109.088 -179.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -148.34 -164.99 2.15 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.915 -1.116 . . . . 0.0 109.433 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 13' ' ' GLU . 37.4 tt0 -72.27 148.43 45.45 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.176 -0.953 . . . . 0.0 109.161 179.778 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.49 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 69.7 t60 -67.45 69.99 0.11 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.302 -0.874 . . . . 0.0 109.169 -179.813 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 3.6 tp10 -100.95 -151.91 0.42 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.514 -0.742 . . . . 0.0 109.248 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 13' ' ' GLU . 44.1 mtpt -70.41 -28.82 65.37 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.572 -0.705 . . . . 0.0 109.862 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.57 -39.77 85.16 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.215 -0.928 . . . . 0.0 110.309 -179.252 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -59.84 -40.22 87.78 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.851 -1.156 . . . . 0.0 108.475 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.0 p -61.69 -40.9 96.64 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.945 -1.097 . . . . 0.0 109.558 179.807 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.1 m120 -96.89 85.48 3.79 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.135 -0.978 . . . . 0.0 109.538 179.534 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -70.06 -26.49 64.04 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.276 -0.89 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -60.51 -39.92 89.52 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.127 -0.983 . . . . 0.0 109.154 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.52 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.062 -1.024 . . . . 0.0 109.005 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 37.7 ttm -60.0 -48.81 80.17 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.433 -0.792 . . . . 0.0 109.762 -179.211 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -61.33 -45.47 94.3 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.324 -0.86 . . . . 0.0 109.447 -179.502 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 62.4 m -63.03 -39.98 96.37 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.203 -0.936 . . . . 0.0 109.86 179.407 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -62.36 -42.33 99.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.637 -0.664 . . . . 0.0 110.669 -178.446 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -103.5 2.24 33.37 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.501 -0.749 . . . . 0.0 110.137 -178.663 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 23' ' ' ALA . 31.7 m120 56.13 42.18 28.58 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.531 -0.731 . . . . 0.0 110.538 179.168 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 69.9 mt -111.9 150.23 42.03 Favored Pre-proline 0 N--CA 1.499 2.013 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 178.961 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.7 Cg_endo -66.42 148.16 83.67 Favored 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 121.56 1.507 . . . . 0.0 111.269 -179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -41.01 -20.67 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.43 2.087 . . . . 0.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 70.7 t -59.69 -50.22 80.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.085 -1.009 . . . . 0.0 110.449 -178.073 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.49 -42.13 83.6 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 O-C-N 120.896 -1.128 . . . . 0.0 109.11 -179.531 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.19 -49.39 74.44 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.561 -0.855 . . . . 0.0 109.55 179.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.8 -39.83 95.46 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.007 -1.058 . . . . 0.0 110.375 179.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -60.81 -41.59 95.98 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.835 -1.166 . . . . 0.0 109.585 -179.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.69 -40.25 87.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.015 -1.053 . . . . 0.0 108.534 179.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.4 t -61.19 -39.67 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.642 -0.661 . . . . 0.0 109.265 179.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.01 -29.68 67.92 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.31 -0.869 . . . . 0.0 109.642 -179.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 60.7 m -69.93 -37.29 75.84 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.72 -179.528 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 19.8 t -73.58 110.97 8.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.958 . . . . 0.0 109.563 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 75.9 m-20 -59.93 -40.26 88.29 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.35 -0.844 . . . . 0.0 110.856 -178.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.29 -39.4 86.77 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.106 -0.996 . . . . 0.0 109.755 -178.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 88.7 m -78.41 -21.25 49.53 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.237 -0.915 . . . . 0.0 110.077 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -77.05 -69.75 0.51 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.12 -0.987 . . . . 0.0 111.297 -177.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.9 mt -76.8 107.98 9.5 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.125 -0.984 . . . . 0.0 109.37 -179.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -96.28 126.04 41.22 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.211 -0.931 . . . . 0.0 110.022 -179.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.72 -11.51 40.0 Favored Glycine 0 N--CA 1.491 2.323 0 N-CA-C 110.219 -1.152 . . . . 0.0 110.219 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 49.16 86.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.089 -1.242 . . . . 0.0 109.943 -179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' B' ' 49' ' ' ALA . . . -66.4 143.35 57.19 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.385 -0.822 . . . . 0.0 109.603 179.339 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 46.6 ttm -167.04 -51.93 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.521 -0.737 . . . . 0.0 109.048 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -120.76 119.16 31.95 Favored 'General case' 0 N--CA 1.51 2.533 0 O-C-N 121.47 -0.769 . . . . 0.0 110.01 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -84.68 -76.69 1.19 Allowed Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.11 -1.596 . . . . 0.0 109.11 179.088 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -155.14 160.86 41.26 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.254 -1.145 . . . . 0.0 109.704 -179.82 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 54' ' ' VAL . 11.3 p -104.32 129.62 56.38 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.254 0 O-C-N 121.269 -0.894 . . . . 0.0 109.816 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 N--CA 1.496 1.827 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.676 -179.953 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 N--CA 1.495 1.816 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 80.8 mt -61.09 -40.31 93.26 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.626 -0.671 . . . . 0.0 109.582 -178.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.39 -41.77 98.78 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.301 -0.875 . . . . 0.0 110.439 -179.65 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.81 -36.62 92.25 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 109.374 -1.49 . . . . 0.0 109.374 -179.635 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.5 mt -66.64 -41.01 87.56 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.421 -1.047 . . . . 0.0 110.34 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.32 -52.02 67.03 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.966 -1.084 . . . . 0.0 110.28 -178.757 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -69.44 -40.63 77.1 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.336 -0.852 . . . . 0.0 109.12 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.62 -36.29 78.44 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.473 -0.767 . . . . 0.0 110.299 179.361 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -64.05 132.6 51.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.813 -1.179 . . . . 0.0 109.039 -179.604 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -145.37 -164.9 2.05 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.118 -0.989 . . . . 0.0 109.7 -179.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.4 tt0 -72.91 146.94 45.78 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.184 -0.948 . . . . 0.0 108.979 179.869 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.521 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 65.0 t60 -66.25 70.52 0.06 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.161 -0.962 . . . . 0.0 109.041 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 11' ' ' GLU . 3.9 tp10 -101.91 -151.63 0.42 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.494 -0.754 . . . . 0.0 109.614 179.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.41 ' H ' ' HG3' ' B' ' 13' ' ' GLU . 49.8 mtpt -70.38 -28.81 65.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.495 -0.753 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -59.92 -39.41 85.36 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.196 -0.94 . . . . 0.0 110.14 -179.086 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -59.75 -40.03 86.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 120.782 -1.199 . . . . 0.0 108.683 -179.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 65.0 p -61.53 -42.49 98.9 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 120.978 -1.076 . . . . 0.0 109.177 179.599 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -95.21 85.49 4.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.043 . . . . 0.0 109.696 179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -70.04 -27.1 64.37 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.266 -0.897 . . . . 0.0 110.243 -179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -60.06 -40.38 89.25 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.852 -1.155 . . . . 0.0 109.189 -179.427 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.75 -40.17 87.23 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.117 -0.99 . . . . 0.0 109.192 -179.93 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.4 ttm -60.2 -49.83 76.08 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.373 -0.829 . . . . 0.0 109.567 -179.329 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -60.14 -44.58 94.85 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.5 m -64.31 -40.34 95.73 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.358 -0.839 . . . . 0.0 109.954 179.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' B' ' 25' ' ' ASP . 56.1 t0 -62.54 -40.51 97.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.646 -0.659 . . . . 0.0 110.639 -178.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 86.3 m-85 -105.1 2.67 29.6 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.395 -0.816 . . . . 0.0 109.844 -179.028 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' B' ' 23' ' ' ALA . 31.3 m120 55.29 42.62 30.15 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.468 -0.77 . . . . 0.0 110.379 178.883 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.454 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 70.1 mt -112.34 150.91 43.28 Favored Pre-proline 0 N--CA 1.5 2.062 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 179.405 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' B' ' 31' ' ' VAL . 38.1 Cg_endo -66.34 147.8 83.51 Favored 'Trans proline' 0 C--N 1.313 -1.321 0 C-N-CA 121.763 1.642 . . . . 0.0 111.253 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -41.02 -20.58 0.09 OUTLIER 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.284 1.99 . . . . 0.0 112.638 179.537 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' B' ' 29' ' ' PRO . 71.6 t -59.41 -51.43 72.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.746 0 O-C-N 121.079 -1.013 . . . . 0.0 110.37 -178.273 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.46 -42.05 86.71 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 O-C-N 120.753 -1.217 . . . . 0.0 109.182 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.7 -48.63 76.34 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.393 -0.817 . . . . 0.0 109.877 179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 61.4 mttm -63.74 -39.53 94.52 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.04 -1.038 . . . . 0.0 109.815 179.43 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.95 -40.89 95.04 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.005 -1.059 . . . . 0.0 109.692 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.72 -40.48 89.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 121.153 -0.967 . . . . 0.0 108.676 179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 56.8 t -60.38 -39.21 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.419 -0.801 . . . . 0.0 109.393 179.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -29.51 68.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.246 -0.909 . . . . 0.0 109.527 -179.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 53.3 m -70.54 -37.85 74.11 Favored 'General case' 0 C--N 1.3 -1.555 0 O-C-N 121.374 -0.829 . . . . 0.0 109.911 -179.23 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 22.1 t -72.64 111.15 7.54 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.005 -1.059 . . . . 0.0 109.219 -179.649 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -60.22 -40.36 89.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.387 -0.82 . . . . 0.0 110.549 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.46 -40.33 86.55 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.888 -1.133 . . . . 0.0 109.86 -179.351 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 86.1 m -78.42 -20.07 51.88 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.171 -0.955 . . . . 0.0 110.206 -179.716 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 16.4 tt0 -77.2 -69.53 0.52 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.099 -1.001 . . . . 0.0 110.727 -178.016 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.6 mt -77.02 109.05 10.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.208 -0.932 . . . . 0.0 109.472 -179.299 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -96.98 125.56 41.5 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.367 -0.833 . . . . 0.0 110.753 -179.803 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.02 -11.86 33.42 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 110.089 -1.204 . . . . 0.0 110.089 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 51.47 87.29 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.189 -1.183 . . . . 0.0 110.293 179.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -66.91 140.08 57.75 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.02 -1.05 . . . . 0.0 109.199 179.497 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 50.2 ttm -164.12 -51.33 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.444 -0.785 . . . . 0.0 109.239 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -121.62 119.81 32.94 Favored 'General case' 0 N--CA 1.504 2.26 0 O-C-N 121.323 -0.861 . . . . 0.0 109.798 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -85.72 -77.5 1.2 Allowed Glycine 0 N--CA 1.494 2.517 0 N-CA-C 109.339 -1.504 . . . . 0.0 109.339 179.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 pt20 -154.08 159.29 41.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.194 -1.18 . . . . 0.0 109.659 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.44 HG13 ' O ' ' B' ' 54' ' ' VAL . 12.1 p -102.78 131.88 50.09 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.295 0 O-C-N 121.328 -0.857 . . . . 0.0 109.39 -179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.8 t0 . . . . . 0 N--CA 1.493 1.677 0 O-C-N 121.178 -0.951 . . . . 0.0 110.086 -179.443 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 121.175 0.512 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.27 -40.27 93.48 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.343 -0.848 . . . . 0.0 110.334 -179.272 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -64.15 -45.36 88.82 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.157 -0.964 . . . . 0.0 110.019 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.1 -38.73 94.79 Favored Glycine 0 N--CA 1.489 2.18 0 N-CA-C 109.144 -1.582 . . . . 0.0 109.144 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -64.75 -40.45 89.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.433 -1.04 . . . . 0.0 110.28 -179.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.11 -48.93 79.68 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.948 -1.095 . . . . 0.0 109.857 -178.817 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.68 -40.06 80.29 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.114 -0.991 . . . . 0.0 109.125 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.69 -30.22 67.82 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.664 -0.648 . . . . 0.0 110.261 -179.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -62.55 135.37 57.37 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.199 -0.938 . . . . 0.0 109.573 -178.909 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -159.4 162.73 35.82 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.3 -0.875 . . . . 0.0 109.646 -179.582 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.544 ' O ' ' N ' ' A' ' 13' ' ' GLU . 39.8 tt0 -46.53 156.45 0.18 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.262 -0.899 . . . . 0.0 109.28 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 79.3 t60 -65.19 66.49 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.376 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' GLU . 56.3 tt0 -80.46 176.35 9.86 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.691 -0.631 . . . . 0.0 109.82 179.987 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.442 ' H ' ' HG2' ' A' ' 13' ' ' GLU . 97.2 mttt -62.64 -26.72 68.78 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.259 -0.901 . . . . 0.0 109.189 179.891 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -58.09 -30.33 66.16 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.313 -0.867 . . . . 0.0 109.993 -179.358 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -59.93 -40.77 90.06 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.641 -1.287 . . . . 0.0 109.236 -179.592 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.8 p -61.58 -41.24 97.12 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.984 -1.072 . . . . 0.0 108.582 179.397 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -93.0 81.19 4.57 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.099 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 66.9 p-90 -69.93 -25.69 63.78 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.403 -0.811 . . . . 0.0 109.715 -179.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mtt-85 -60.07 -41.02 91.49 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.074 -1.016 . . . . 0.0 109.816 -178.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.32 99.13 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.127 -0.983 . . . . 0.0 109.335 179.847 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.0 ttp -64.77 -41.25 96.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.376 -0.827 . . . . 0.0 109.703 -179.783 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.73 -40.18 94.89 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.271 -0.893 . . . . 0.0 109.147 179.471 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.0 t -69.07 -39.95 78.77 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.533 -0.73 . . . . 0.0 109.943 -179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -61.74 -39.93 93.33 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.09 -1.006 . . . . 0.0 109.505 -179.548 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -100.1 0.4 40.65 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.306 -0.871 . . . . 0.0 109.888 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 23' ' ' ALA . 25.8 m120 52.32 46.96 25.7 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.17 -0.956 . . . . 0.0 110.259 179.645 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.6 mt -113.75 151.37 44.6 Favored Pre-proline 0 N--CA 1.499 1.997 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 179.262 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.49 ' O ' ' N ' ' A' ' 31' ' ' VAL . 58.9 Cg_endo -70.2 149.54 64.25 Favored 'Trans proline' 0 C--N 1.312 -1.39 0 C-N-CA 121.524 1.483 . . . . 0.0 110.835 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -40.74 -20.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 121.84 1.693 . . . . 0.0 112.364 -179.775 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 29' ' ' PRO . 97.7 t -56.48 -58.63 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 120.838 -1.164 . . . . 0.0 110.634 -178.835 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.1 t -64.64 -42.16 94.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.658 0 O-C-N 121.144 -0.973 . . . . 0.0 109.173 -179.124 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.61 95.58 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.311 -0.868 . . . . 0.0 109.833 179.876 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.18 -40.03 95.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.987 -1.07 . . . . 0.0 109.638 -179.603 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 2.8 tm-20 -60.94 -40.53 93.6 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.141 -0.975 . . . . 0.0 110.184 -179.59 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.2 -39.98 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.032 -1.042 . . . . 0.0 109.122 -179.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.04 -39.89 86.95 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.57 -30.63 69.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.578 -0.701 . . . . 0.0 109.613 179.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 75.6 m -70.35 -39.54 74.59 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.215 -0.928 . . . . 0.0 109.156 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 48.8 t -76.11 109.45 9.78 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.243 -0.911 . . . . 0.0 109.376 179.712 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.68 -39.88 90.05 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.426 -0.796 . . . . 0.0 111.089 -179.741 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -59.43 -39.87 84.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.983 -1.073 . . . . 0.0 109.274 -178.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.419 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 72.6 m -76.92 -34.52 57.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.095 -1.003 . . . . 0.0 110.121 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -79.81 -71.39 0.45 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.162 -0.961 . . . . 0.0 111.694 -177.681 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.32 130.63 41.2 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.129 -0.982 . . . . 0.0 110.286 -178.196 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.01 145.01 26.21 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 179.009 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.39 171.74 48.78 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.0 tp10 60.32 23.22 12.69 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.388 -1.066 . . . . 0.0 109.537 179.79 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.93 84.16 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.806 -1.184 . . . . 0.0 109.01 179.522 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 66.5 mtt -92.57 151.19 20.28 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.456 -0.777 . . . . 0.0 109.763 -179.911 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.3 m80 66.65 -166.95 0.21 Allowed 'General case' 0 N--CA 1.496 1.843 0 CA-C-O 121.592 0.71 . . . . 0.0 110.307 179.638 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.72 -155.57 26.3 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.091 -1.604 . . . . 0.0 109.091 -179.72 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.492 ' N ' ' OE1' ' A' ' 53' ' ' GLN . 0.9 OUTLIER -70.21 140.29 52.45 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.286 -1.126 . . . . 0.0 109.55 179.927 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 54' ' ' VAL . 17.9 m -99.33 1.9 10.52 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.028 0 O-C-N 121.189 -0.944 . . . . 0.0 110.293 -179.239 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.297 -1.716 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.241 -179.921 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 . . . . . 0 N--CA 1.489 1.487 0 CA-C-O 121.3 0.572 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.17 -40.59 94.48 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.192 -0.942 . . . . 0.0 110.236 -179.404 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -64.05 -45.44 88.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.149 -0.97 . . . . 0.0 110.005 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.89 -38.94 94.84 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 179.867 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.84 -40.18 88.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.452 -1.028 . . . . 0.0 110.49 -179.628 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -60.03 -49.23 78.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.027 -1.046 . . . . 0.0 109.87 -179.044 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.37 -40.16 81.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.189 -0.945 . . . . 0.0 109.262 179.641 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.7 -30.09 67.65 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.671 -0.643 . . . . 0.0 110.434 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -62.56 135.39 57.38 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.209 -0.932 . . . . 0.0 109.57 -179.065 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -159.25 163.06 36.18 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.334 -0.854 . . . . 0.0 109.669 -179.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.555 ' O ' ' N ' ' B' ' 13' ' ' GLU . 39.7 tt0 -47.18 156.38 0.24 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.114 -0.991 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.498 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 79.2 t60 -65.01 66.65 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.203 -0.936 . . . . 0.0 109.62 -179.231 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' B' ' 11' ' ' GLU . 54.7 tt0 -80.58 176.44 9.79 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.343 0.592 . . . . 0.0 109.781 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . 0.443 ' H ' ' HG2' ' B' ' 13' ' ' GLU . 97.7 mttt -62.79 -26.65 68.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.342 -0.849 . . . . 0.0 109.256 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -58.31 -30.11 66.4 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.412 -0.805 . . . . 0.0 109.981 -179.456 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -59.99 -40.82 90.47 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.636 -1.29 . . . . 0.0 109.195 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.54 -41.16 96.94 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.869 -1.144 . . . . 0.0 108.658 179.366 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -92.97 80.75 4.58 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 67.3 p-90 -69.77 -25.66 63.91 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.318 -0.864 . . . . 0.0 109.616 -179.531 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 64.7 mtt-85 -60.03 -40.8 90.59 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.162 -0.961 . . . . 0.0 110.021 -179.068 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.03 99.22 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.036 -1.04 . . . . 0.0 109.272 179.727 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 54.4 ttp -64.9 -41.1 95.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.304 -0.872 . . . . 0.0 109.743 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -64.77 -39.98 94.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.166 179.515 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 35.2 t -69.47 -40.02 77.37 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.572 -0.705 . . . . 0.0 109.866 -179.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.49 -40.09 93.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.224 -0.923 . . . . 0.0 109.569 -179.713 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -99.93 0.33 40.99 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.295 -0.878 . . . . 0.0 109.874 -179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.7 m120 52.35 46.96 25.71 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.162 -0.961 . . . . 0.0 110.249 179.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -113.75 151.32 44.56 Favored Pre-proline 0 N--CA 1.499 2.023 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.8 Cg_endo -70.18 149.55 64.37 Favored 'Trans proline' 0 C--N 1.312 -1.364 0 C-N-CA 121.571 1.514 . . . . 0.0 110.828 179.87 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -40.6 -20.92 0.09 OUTLIER 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 121.964 1.776 . . . . 0.0 112.413 -179.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.489 ' N ' ' O ' ' B' ' 29' ' ' PRO . 89.5 t -56.24 -58.75 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 120.839 -1.163 . . . . 0.0 110.726 -178.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -64.58 -42.12 94.23 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 O-C-N 121.168 -0.958 . . . . 0.0 109.165 -179.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.61 95.51 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.288 -0.883 . . . . 0.0 109.923 179.837 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.2 mmtp -64.23 -39.94 95.01 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.059 -1.026 . . . . 0.0 109.612 -179.675 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.416 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 2.8 tm-20 -61.19 -40.32 93.49 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.136 -0.978 . . . . 0.0 110.191 -179.497 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 76.4 mt -62.17 -40.15 86.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.017 -1.052 . . . . 0.0 109.004 -179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.0 -39.85 86.76 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.476 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 179.802 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.531 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.55 -30.65 69.48 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.576 -0.702 . . . . 0.0 109.521 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.416 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 74.7 m -70.32 -39.49 74.74 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.173 -0.955 . . . . 0.0 109.219 -179.821 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 49.3 t -76.28 109.48 10.01 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.267 -0.896 . . . . 0.0 109.402 179.782 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -60.64 -39.91 90.02 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.459 -0.776 . . . . 0.0 110.976 -179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.4 mttm -59.47 -39.93 85.29 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.932 -1.105 . . . . 0.0 109.317 -178.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 70.9 m -76.74 -34.46 58.09 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.119 -0.988 . . . . 0.0 110.21 179.782 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.531 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.0 tt0 -79.92 -71.11 0.47 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.149 -0.969 . . . . 0.0 111.823 -177.724 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.66 130.74 41.25 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.115 -0.991 . . . . 0.0 110.235 -178.233 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -88.27 145.0 26.09 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.131 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.3 172.17 47.96 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 -179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 60.16 23.07 12.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.344 -1.092 . . . . 0.0 109.454 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.4 85.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.831 -1.168 . . . . 0.0 109.084 179.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 66.4 mtt -92.2 151.16 20.5 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.411 -0.806 . . . . 0.0 109.767 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.5 m80 66.81 -167.31 0.21 Allowed 'General case' 0 N--CA 1.494 1.773 0 CA-C-O 121.547 0.689 . . . . 0.0 110.296 179.688 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.28 -155.59 26.36 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.197 -1.561 . . . . 0.0 109.197 -179.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.496 ' N ' ' OE1' ' B' ' 53' ' ' GLN . 0.9 OUTLIER -70.32 140.3 52.23 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.126 -1.22 . . . . 0.0 109.414 179.854 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 17.9 m -99.39 2.22 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 110.249 -179.304 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.298 -1.658 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.126 -179.84 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.29 0.566 . . . . 0.0 109.874 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.26 -40.47 90.45 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.189 -0.944 . . . . 0.0 110.8 -179.373 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.72 -43.5 97.76 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.108 -0.995 . . . . 0.0 110.357 -178.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.03 -33.74 88.08 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.752 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 48.2 mt -66.32 -39.77 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.469 -1.018 . . . . 0.0 110.321 -179.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -60.54 -50.2 74.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.711 -1.243 . . . . 0.0 109.879 -179.35 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.2 -40.82 94.7 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.103 -0.998 . . . . 0.0 109.637 179.391 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.8 -31.07 68.78 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.57 -0.706 . . . . 0.0 110.354 -179.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -64.14 138.8 58.62 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.243 -0.911 . . . . 0.0 110.489 -178.721 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.93 -178.6 4.8 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.439 -0.788 . . . . 0.0 109.741 -179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLU . 64.8 mm-40 -61.72 150.68 36.03 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.342 -0.849 . . . . 0.0 108.855 179.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 72.1 t60 -65.96 77.64 0.08 Allowed 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' GLU . 74.9 mm-40 -96.02 -164.8 1.2 Allowed 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.647 0.737 . . . . 0.0 109.838 -179.834 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -69.38 -27.59 65.45 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.691 -0.631 . . . . 0.0 109.847 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -59.77 -32.46 70.62 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.375 -0.828 . . . . 0.0 109.609 -179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -60.34 -39.7 88.04 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.953 -1.092 . . . . 0.0 109.07 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.2 p -61.8 -42.15 98.64 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.165 -0.959 . . . . 0.0 109.591 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -93.44 89.51 6.34 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.139 -0.975 . . . . 0.0 109.325 179.896 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 43.2 p-90 -70.53 -28.35 64.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.065 -1.022 . . . . 0.0 109.862 -179.88 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.178 -0.951 . . . . 0.0 109.785 -179.891 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.69 -40.07 93.71 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.228 -0.92 . . . . 0.0 109.774 179.698 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 33.4 ttm -62.38 -42.67 99.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.363 -0.836 . . . . 0.0 110.191 -179.256 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.24 -42.4 99.22 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.128 -0.983 . . . . 0.0 109.856 -179.332 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -69.09 -40.06 78.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.402 -0.811 . . . . 0.0 109.949 -179.672 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.34 -40.54 91.06 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.897 -179.301 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -106.11 1.45 26.3 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.698 -0.626 . . . . 0.0 110.245 -179.395 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' ALA . 15.1 m120 54.21 44.92 28.39 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.213 -0.93 . . . . 0.0 110.539 179.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.437 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 65.5 mt -113.49 150.88 43.91 Favored Pre-proline 0 N--CA 1.498 1.968 0 N-CA-C 107.926 -1.139 . . . . 0.0 107.926 179.152 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 31' ' ' VAL . 39.8 Cg_endo -67.55 149.38 79.69 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 121.748 1.632 . . . . 0.0 111.482 179.987 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -41.81 -21.15 0.14 Allowed 'Trans proline' 0 C--N 1.313 -1.324 0 C-N-CA 122.271 1.981 . . . . 0.0 112.82 -179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 29' ' ' PRO . 56.4 t -59.06 -54.22 37.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.502 0 O-C-N 120.971 -1.081 . . . . 0.0 110.65 -178.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.4 t -66.19 -42.05 90.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.796 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.791 -179.485 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.96 81.56 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.388 -0.82 . . . . 0.0 109.938 179.194 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.9 mttm -64.56 -40.2 95.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.986 -1.071 . . . . 0.0 110.007 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -60.1 -41.04 91.7 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.89 -1.131 . . . . 0.0 109.19 -179.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.79 -40.53 89.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.16 -0.963 . . . . 0.0 109.801 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.08 -39.63 85.96 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.53 -30.03 68.74 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.733 -0.605 . . . . 0.0 109.46 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 m -71.31 -39.09 71.65 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.321 -0.862 . . . . 0.0 109.165 -179.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 13.5 t -73.71 111.68 9.08 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.284 -0.885 . . . . 0.0 109.01 178.868 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.81 -40.19 91.77 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.893 . . . . 0.0 110.274 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -59.73 -39.92 86.33 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.37 -0.831 . . . . 0.0 110.425 -178.122 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.422 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 62.1 m -76.49 -32.35 58.28 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.888 -1.132 . . . . 0.0 109.819 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -74.44 -75.53 0.16 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.342 -0.848 . . . . 0.0 110.486 -178.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.88 132.76 43.92 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.256 -0.903 . . . . 0.0 109.666 -179.113 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.8 tptm -89.04 -18.59 27.01 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.276 -0.89 . . . . 0.0 109.067 179.32 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 157.42 152.39 6.32 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 -179.917 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -88.78 131.76 34.92 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.238 -1.154 . . . . 0.0 109.291 179.79 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -86.93 154.39 20.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.138 -0.976 . . . . 0.0 109.427 -179.462 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -159.15 -1.25 0.08 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.035 -1.041 . . . . 0.0 110.346 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -132.99 136.82 46.28 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.394 -0.816 . . . . 0.0 109.493 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.55 -116.31 0.37 Allowed Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 179.695 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -74.09 152.08 40.01 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.076 -1.249 . . . . 0.0 109.539 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG22 ' O ' ' A' ' 54' ' ' VAL . 6.7 p -92.42 6.12 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 CA-C-O 121.727 0.775 . . . . 0.0 109.223 -179.913 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 117.786 -1.102 . . . . 0.0 109.361 179.495 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.421 0.629 . . . . 0.0 109.776 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 91.1 mt -61.43 -41.0 96.5 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.513 -0.742 . . . . 0.0 110.472 -179.431 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.07 -42.79 95.3 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.297 -0.877 . . . . 0.0 110.753 -178.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.48 -34.02 88.79 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.24 -40.45 88.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 121.36 -1.083 . . . . 0.0 110.19 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.39 -49.52 77.24 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.591 -1.318 . . . . 0.0 109.895 -179.611 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -65.57 -40.51 92.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.114 -0.991 . . . . 0.0 109.854 179.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.11 -29.71 66.73 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.656 -0.653 . . . . 0.0 110.583 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -65.56 138.12 57.84 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.218 -0.926 . . . . 0.0 109.97 -178.657 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -165.8 -177.03 4.1 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.287 -0.883 . . . . 0.0 109.692 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.42 ' O ' ' N ' ' B' ' 13' ' ' GLU . 67.3 mm-40 -62.33 150.07 40.46 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.288 -0.882 . . . . 0.0 109.325 -179.842 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.413 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 71.6 t60 -65.83 77.68 0.08 Allowed 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -179.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 11' ' ' GLU . 66.3 mm-40 -97.22 -165.42 1.26 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.513 -0.742 . . . . 0.0 109.656 -179.458 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.08 -27.86 65.98 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.593 -0.692 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.9 m-85 -58.33 -33.83 69.94 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.216 -0.928 . . . . 0.0 109.168 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -59.31 -40.81 87.41 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.675 -1.266 . . . . 0.0 108.589 179.703 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.7 p -59.87 -43.98 94.41 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 120.911 -1.118 . . . . 0.0 109.884 179.788 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -93.31 92.07 7.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.938 -1.101 . . . . 0.0 109.599 -179.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 42.4 p-90 -72.01 -26.81 62.37 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.104 -0.998 . . . . 0.0 110.13 179.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 59.1 mtp180 -61.07 -39.54 90.27 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.11 -0.994 . . . . 0.0 109.435 -179.906 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.19 -40.58 96.54 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.105 -0.997 . . . . 0.0 109.707 179.899 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 32.6 ttm -62.62 -43.66 98.24 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.288 -0.882 . . . . 0.0 110.042 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.59 -42.02 99.32 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.126 -0.983 . . . . 0.0 109.732 -179.351 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.1 t -68.92 -39.7 79.48 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.591 -0.693 . . . . 0.0 110.01 179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -61.45 -40.97 96.4 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.139 -0.976 . . . . 0.0 109.684 -178.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -105.03 2.85 29.93 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.581 -0.699 . . . . 0.0 110.177 -179.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' B' ' 23' ' ' ALA . 17.2 m120 52.89 46.2 27.25 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.034 -1.041 . . . . 0.0 110.149 179.403 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.422 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 63.1 mt -115.81 150.23 44.54 Favored Pre-proline 0 N--CA 1.502 2.147 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.042 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' B' ' 31' ' ' VAL . 42.6 Cg_endo -66.8 146.73 79.34 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.746 1.631 . . . . 0.0 111.806 -179.574 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -39.74 -21.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.316 0 C-N-CA 122.252 1.968 . . . . 0.0 112.356 -179.42 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.505 ' N ' ' O ' ' B' ' 29' ' ' PRO . 57.8 t -58.07 -55.6 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.436 0 O-C-N 121.164 -0.96 . . . . 0.0 110.076 -178.411 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.45 -41.6 91.42 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.021 -1.049 . . . . 0.0 109.221 -179.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.41 86.13 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.046 -1.034 . . . . 0.0 109.758 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -65.5 -39.33 91.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.888 -1.132 . . . . 0.0 110.106 179.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -60.71 -40.88 93.92 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.114 . . . . 0.0 108.988 -179.437 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.2 mt -63.42 -40.66 89.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.198 -0.939 . . . . 0.0 109.364 179.909 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.54 -40.21 87.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.367 -0.833 . . . . 0.0 108.757 179.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.52 -30.23 69.0 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.722 -0.612 . . . . 0.0 109.523 -179.852 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 38.4 m -71.73 -39.68 69.94 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.455 -0.778 . . . . 0.0 109.36 -179.302 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -73.66 111.24 8.62 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.108 -0.995 . . . . 0.0 108.445 179.433 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 45.5 m-20 -60.0 -39.82 87.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.343 -0.848 . . . . 0.0 110.495 -179.299 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.07 -39.63 86.72 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.234 -0.916 . . . . 0.0 110.303 -178.044 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 71.0 m -76.53 -32.53 58.3 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.025 -1.047 . . . . 0.0 110.217 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -75.36 -75.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.518 -0.739 . . . . 0.0 110.439 -178.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 70.7 mt -72.61 133.38 44.66 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.097 -1.002 . . . . 0.0 110.07 -179.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -89.4 -20.37 24.04 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.462 -0.774 . . . . 0.0 109.293 179.244 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.41 151.21 6.06 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 110.025 -1.23 . . . . 0.0 110.025 -179.929 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -87.58 129.33 35.14 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.141 -1.211 . . . . 0.0 109.055 179.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.24 156.82 20.8 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.851 . . . . 0.0 108.828 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -162.13 4.37 0.05 Allowed 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.769 -1.207 . . . . 0.0 109.696 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -137.63 139.2 40.17 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.763 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.07 -116.99 0.43 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.008 -1.637 . . . . 0.0 109.008 179.233 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -71.88 153.46 41.87 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.133 -1.216 . . . . 0.0 109.335 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.597 HG22 ' O ' ' B' ' 54' ' ' VAL . 6.8 p -95.31 6.41 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 O-C-N 121.234 -0.916 . . . . 0.0 109.144 -179.599 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 12.7 t0 . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 118.073 -0.965 . . . . 0.0 109.378 179.84 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 84.7 mt -62.21 -41.54 98.47 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.42 -0.8 . . . . 0.0 110.593 -179.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.37 -41.83 96.51 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.114 -0.991 . . . . 0.0 110.082 -179.401 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 -36.56 93.58 Favored Glycine 0 N--CA 1.489 2.192 0 N-CA-C 109.208 -1.557 . . . . 0.0 109.208 -179.892 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 74.7 mt -68.01 -40.12 82.7 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 121.586 -0.949 . . . . 0.0 110.299 -179.84 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -59.79 -45.89 90.89 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.052 -1.03 . . . . 0.0 109.699 -179.155 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -69.72 -40.88 75.96 Favored 'General case' 0 N--CA 1.489 1.507 0 C-N-CA 119.173 -1.011 . . . . 0.0 109.054 179.501 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.73 73.56 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.479 -0.763 . . . . 0.0 110.828 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -62.27 138.84 58.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.995 -1.066 . . . . 0.0 109.693 -178.26 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -165.0 -175.09 3.56 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.353 -0.842 . . . . 0.0 109.011 -179.561 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -62.69 159.73 15.61 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.11 -0.994 . . . . 0.0 109.614 -179.731 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.466 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 74.3 t60 -71.74 86.85 0.95 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.263 -0.898 . . . . 0.0 110.1 -179.354 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -101.13 -166.64 1.33 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.237 -0.914 . . . . 0.0 110.051 179.397 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -70.26 -25.81 63.53 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.377 -0.827 . . . . 0.0 108.849 179.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -59.96 -34.41 73.24 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.643 -0.661 . . . . 0.0 109.866 -179.41 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.1 m170 -58.82 -39.12 80.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 120.885 -1.135 . . . . 0.0 108.985 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 85.8 p -60.37 -43.79 96.24 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.858 -1.151 . . . . 0.0 109.705 179.701 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -94.49 90.84 6.35 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.022 -1.049 . . . . 0.0 109.261 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -71.4 -22.82 61.81 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.697 179.735 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -63.64 -39.82 95.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.258 -0.901 . . . . 0.0 110.164 -178.93 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.11 94.63 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.888 -1.133 . . . . 0.0 109.553 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 34.3 ttm -62.46 -45.83 91.28 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.324 -0.86 . . . . 0.0 109.786 -179.617 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.47 -41.86 98.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.287 -0.883 . . . . 0.0 109.587 -179.839 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 67.6 m -65.61 -40.37 92.54 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.38 -0.825 . . . . 0.0 110.138 -179.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -64.24 -40.12 95.36 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.27 -0.894 . . . . 0.0 110.881 -179.183 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.29 1.43 38.72 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.25 -0.906 . . . . 0.0 110.319 -179.263 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 23' ' ' ALA . 26.4 m120 53.48 49.06 20.4 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.358 -0.839 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.414 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 53.4 mt -117.68 152.58 49.97 Favored Pre-proline 0 N--CA 1.501 2.117 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 179.643 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 150.91 68.73 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.04 1.827 . . . . 0.0 111.488 179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_exo -44.25 -20.65 0.32 Allowed 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.88 1.72 . . . . 0.0 112.402 -179.899 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.06 -50.19 81.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.8 t -68.67 -44.42 82.48 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.548 0 O-C-N 120.773 -1.204 . . . . 0.0 109.314 -179.549 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.42 96.93 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.258 -0.901 . . . . 0.0 109.948 179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.8 mmtp -65.29 -40.21 93.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.953 -1.092 . . . . 0.0 109.804 179.616 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -61.16 -41.46 96.8 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.124 -0.985 . . . . 0.0 109.899 -179.473 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -63.96 -40.29 88.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 120.996 -1.065 . . . . 0.0 109.563 -179.661 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.84 -39.83 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.202 -0.936 . . . . 0.0 108.88 179.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.7 -27.8 67.13 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.57 -0.706 . . . . 0.0 109.915 -179.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 49.0 m -72.6 -36.96 68.22 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.082 -1.011 . . . . 0.0 109.852 -179.46 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.9 t -72.81 114.9 11.46 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.931 -1.106 . . . . 0.0 109.135 179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.32 -40.09 92.92 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.297 -0.877 . . . . 0.0 110.668 -179.525 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -59.54 -40.33 86.86 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 110.011 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.466 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 33.9 m -78.07 -34.17 50.45 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.09 -1.006 . . . . 0.0 110.431 -179.398 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -79.95 -69.89 0.55 Allowed 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.363 -0.835 . . . . 0.0 111.366 -178.042 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -72.37 131.77 43.07 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.121 -0.987 . . . . 0.0 109.883 -178.638 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -86.44 154.1 21.4 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 179.517 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.5 -59.63 10.19 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -179.757 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -83.43 151.11 25.64 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.283 -1.127 . . . . 0.0 108.573 179.425 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -146.89 -135.46 0.08 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.926 -1.109 . . . . 0.0 109.561 -179.39 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.5 ttt -65.01 135.54 55.74 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.274 -0.891 . . . . 0.0 110.332 -179.368 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -129.83 119.11 22.81 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 178.774 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.14 143.9 25.53 Favored Glycine 0 N--CA 1.492 2.389 0 C-N-CA 120.049 -1.072 . . . . 0.0 110.638 -178.921 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -98.2 138.46 35.44 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.488 -1.007 . . . . 0.0 108.971 179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 54' ' ' VAL . 7.2 m -102.37 138.62 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.445 -0.785 . . . . 0.0 110.098 -179.925 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.535 -179.92 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.09 -40.54 94.11 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.5 -0.75 . . . . 0.0 110.605 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -66.08 -41.31 90.89 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.932 -1.105 . . . . 0.0 110.087 -179.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.83 -35.45 92.02 Favored Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.107 -1.597 . . . . 0.0 109.107 -179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 72.9 mt -68.3 -39.96 81.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.462 -1.023 . . . . 0.0 110.264 -179.823 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -60.07 -45.41 92.97 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.181 -0.949 . . . . 0.0 109.75 -179.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -69.83 -40.82 75.62 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.806 -1.184 . . . . 0.0 108.928 179.231 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.62 -37.02 73.78 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.447 -0.783 . . . . 0.0 110.774 -179.914 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -62.86 139.44 58.72 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.251 -0.906 . . . . 0.0 109.55 -178.352 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -166.01 -175.07 3.22 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.39 -0.819 . . . . 0.0 108.85 -179.319 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 158.16 23.54 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.18 -0.95 . . . . 0.0 109.778 -179.706 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 72.8 t60 -71.09 84.92 0.72 Allowed 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.269 -0.894 . . . . 0.0 110.317 -178.768 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -99.66 -165.57 1.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.457 -0.777 . . . . 0.0 109.511 179.321 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -70.84 -26.38 63.26 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.367 -0.833 . . . . 0.0 109.373 179.339 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -58.99 -33.58 70.85 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.43 -0.794 . . . . 0.0 110.031 -179.261 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -59.65 -38.28 81.01 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.03 -1.044 . . . . 0.0 108.993 -179.968 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.1 p -61.4 -43.46 98.83 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.954 -1.091 . . . . 0.0 109.534 179.59 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -94.48 88.56 5.52 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.031 . . . . 0.0 109.442 179.58 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -69.91 -23.99 63.31 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.994 -1.066 . . . . 0.0 109.773 179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -62.35 -40.14 95.42 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.995 -1.066 . . . . 0.0 110.082 -179.43 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.75 -40.24 91.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.962 -1.086 . . . . 0.0 109.528 -179.763 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 33.7 ttm -63.58 -45.2 91.51 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.287 -0.883 . . . . 0.0 109.659 -179.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.19 -42.47 99.34 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.268 -0.895 . . . . 0.0 109.523 -179.603 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 65.2 m -65.6 -40.33 92.55 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.528 -0.732 . . . . 0.0 110.458 -179.197 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -64.14 -39.99 95.19 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.27 -0.894 . . . . 0.0 110.495 -178.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -101.18 0.72 38.12 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.334 -0.854 . . . . 0.0 110.423 -178.979 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' B' ' 23' ' ' ALA . 25.9 m120 54.07 49.65 18.36 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.259 -0.901 . . . . 0.0 109.978 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 mt -118.7 152.16 50.97 Favored Pre-proline 0 N--CA 1.499 1.977 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.396 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -68.64 151.06 75.12 Favored 'Trans proline' 0 N--CA 1.492 1.398 0 C-N-CA 121.865 1.71 . . . . 0.0 110.919 179.579 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -44.81 -20.08 0.34 Allowed 'Trans proline' 0 N--CA 1.49 1.31 0 C-N-CA 121.794 1.662 . . . . 0.0 112.392 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -59.32 -50.54 79.46 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.618 0 O-C-N 120.763 -1.211 . . . . 0.0 110.636 -178.097 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 92.6 t -67.78 -44.47 85.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.607 0 C-N-CA 118.999 -1.08 . . . . 0.0 109.449 -179.507 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.08 -42.75 96.84 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.384 -0.823 . . . . 0.0 109.906 -179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -63.83 -40.14 95.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.911 -1.118 . . . . 0.0 109.654 179.841 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -61.78 -41.09 97.27 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.095 -1.003 . . . . 0.0 110.06 -179.582 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.29 -40.8 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.14 -0.975 . . . . 0.0 109.389 -179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -62.12 -39.8 85.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.389 -0.819 . . . . 0.0 108.927 179.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.29 -26.56 65.7 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.496 -0.753 . . . . 0.0 109.738 -179.859 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 49.9 m -74.33 -34.63 63.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.059 -1.026 . . . . 0.0 109.674 -179.679 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 8.6 t -75.54 113.73 13.29 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.92 -1.113 . . . . 0.0 108.95 179.683 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -60.99 -39.7 90.7 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.243 -0.911 . . . . 0.0 110.528 -179.173 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttp -59.82 -40.01 86.97 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.033 -1.042 . . . . 0.0 109.748 -179.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 34.6 m -77.74 -35.4 51.93 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.221 -0.924 . . . . 0.0 110.181 -179.243 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.61 -70.17 0.53 Allowed 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.432 -0.793 . . . . 0.0 111.497 -178.151 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.03 130.68 41.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.061 -1.024 . . . . 0.0 109.743 -178.474 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -86.12 152.57 22.75 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.468 -0.77 . . . . 0.0 108.938 179.538 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.76 -61.91 6.6 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -81.15 152.44 27.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.214 -1.168 . . . . 0.0 108.435 179.238 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.78 -131.14 0.06 Allowed 'General case' 0 N--CA 1.5 2.061 0 O-C-N 120.729 -1.232 . . . . 0.0 109.987 -179.257 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.41 136.03 51.07 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 -179.315 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -129.95 119.03 22.56 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.061 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -80.14 142.09 23.84 Favored Glycine 0 N--CA 1.491 2.301 0 C-N-CA 120.135 -1.031 . . . . 0.0 110.856 -179.175 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -96.66 139.03 33.33 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.513 -0.992 . . . . 0.0 108.797 179.361 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG22 ' H ' ' B' ' 54' ' ' VAL . 6.0 m -103.69 137.78 30.86 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.469 -0.769 . . . . 0.0 109.965 -179.741 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 118.037 -0.983 . . . . 0.0 109.386 179.863 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 32.5 m-85 . . . . . 0 N--CA 1.494 1.752 0 CA-C-O 121.499 0.666 . . . . 0.0 109.717 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.0 mt -60.98 -40.33 93.01 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.579 -0.701 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -64.45 -41.14 96.71 Favored 'General case' 0 N--CA 1.489 1.477 0 C-N-CA 119.303 -0.959 . . . . 0.0 110.755 -178.561 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.51 -33.48 86.57 Favored Glycine 0 N--CA 1.49 2.298 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.931 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 70.8 mt -68.59 -40.43 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.247 -1.149 . . . . 0.0 110.48 -179.462 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -59.76 -47.4 85.82 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.14 -0.975 . . . . 0.0 109.262 -178.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.53 -40.8 76.67 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.151 -0.968 . . . . 0.0 109.663 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -28.46 65.47 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.368 -0.833 . . . . 0.0 110.401 -179.395 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -58.24 138.69 56.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.369 -0.832 . . . . 0.0 109.588 -178.363 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -164.66 165.67 20.73 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.38 -0.825 . . . . 0.0 108.835 -179.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 13' ' ' GLU . 56.0 mp0 -58.49 161.97 4.12 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.127 -0.983 . . . . 0.0 109.168 -179.618 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -69.47 70.46 0.28 Allowed 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.192 -0.942 . . . . 0.0 109.219 -179.756 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 11' ' ' GLU . 60.1 mm-40 -88.98 -161.01 0.72 Allowed 'General case' 0 C--N 1.299 -1.599 0 CA-C-O 121.583 0.706 . . . . 0.0 109.673 -179.577 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -70.02 -28.42 65.47 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.561 -0.712 . . . . 0.0 109.398 179.66 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -59.95 -36.42 77.06 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.37 -0.831 . . . . 0.0 109.869 -179.502 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -60.11 -40.19 88.85 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.91 -1.119 . . . . 0.0 109.919 179.934 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 60.1 p -60.94 -41.64 96.66 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.585 -1.322 . . . . 0.0 109.533 179.991 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -95.45 87.58 4.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.124 -0.985 . . . . 0.0 109.007 179.427 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 30.5 p-90 -70.12 -28.45 65.4 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.377 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -60.92 -39.45 89.45 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 120.935 -1.103 . . . . 0.0 109.492 -179.95 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.48 -40.36 90.99 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.053 -1.029 . . . . 0.0 109.531 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 39.0 ttm -59.76 -46.24 89.75 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.314 -0.867 . . . . 0.0 110.168 -179.544 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.19 -41.34 99.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.151 -0.968 . . . . 0.0 109.808 -179.509 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.4 t -69.19 -39.87 78.41 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.452 -0.78 . . . . 0.0 109.808 -179.669 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.58 -40.62 92.41 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.391 -0.818 . . . . 0.0 110.115 -178.644 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -103.85 4.17 34.65 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.31 -179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 55.47 45.72 24.58 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.498 -0.752 . . . . 0.0 110.931 179.951 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 63.0 mt -118.68 150.18 47.77 Favored Pre-proline 0 N--CA 1.501 2.087 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.705 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 31' ' ' VAL . 36.8 Cg_endo -65.68 148.97 87.49 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.474 1.45 . . . . 0.0 111.289 -179.794 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -40.41 -20.56 0.08 OUTLIER 'Trans proline' 0 N--CA 1.491 1.326 0 C-N-CA 122.585 2.19 . . . . 0.0 112.942 -179.581 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 95.2 t -59.67 -50.08 81.35 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.017 -1.052 . . . . 0.0 110.998 -177.934 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.4 t -66.99 -42.89 89.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 C-N-CA 119.096 -1.042 . . . . 0.0 109.412 -178.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.498 ' O ' HG23 ' A' ' 37' ' ' VAL . . . -63.12 -45.33 92.5 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.421 -0.8 . . . . 0.0 109.892 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -63.79 -40.28 96.27 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.947 -1.095 . . . . 0.0 109.72 179.765 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.71 -41.59 95.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.113 -0.992 . . . . 0.0 109.748 179.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.7 mt -66.11 -41.46 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.039 -1.038 . . . . 0.0 109.366 179.959 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 33' ' ' ALA . 78.2 t -63.53 -39.71 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.488 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.22 -28.69 67.46 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.533 -0.73 . . . . 0.0 110.534 -179.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 70.7 m -74.99 -30.94 61.3 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.311 -0.868 . . . . 0.0 109.837 -178.647 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 30.1 t -74.28 118.24 17.01 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.129 -0.982 . . . . 0.0 108.965 179.922 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.87 -40.02 93.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.46 -0.775 . . . . 0.0 110.487 -179.186 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -59.89 -39.73 86.35 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.209 -0.932 . . . . 0.0 110.048 -179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 87.3 m -72.31 -40.99 67.08 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.613 -0.679 . . . . 0.0 110.541 -179.096 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.5 tt0 -73.78 -77.7 0.11 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.482 -0.761 . . . . 0.0 110.58 -177.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.7 mt -75.21 129.99 38.41 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.324 -0.86 . . . . 0.0 109.689 -179.623 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -93.87 123.98 37.58 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.485 -0.759 . . . . 0.0 109.502 179.2 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 48.97 -131.0 23.89 Favored Glycine 0 N--CA 1.497 2.765 0 N-CA-C 110.016 -1.233 . . . . 0.0 110.016 179.855 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -84.32 142.16 30.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.489 -1.007 . . . . 0.0 109.63 179.827 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.22 -77.44 0.4 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.146 -0.971 . . . . 0.0 110.316 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 67.0 mtt -79.44 153.63 29.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.511 -0.743 . . . . 0.0 110.368 -178.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' H ' ' H ' ' B' ' 52' ' ' GLY . 35.3 t-80 55.75 46.02 23.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.321 -0.862 . . . . 0.0 110.149 179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.468 ' H ' ' H ' ' B' ' 51' ' ' HIS . . . -62.23 -123.26 0.01 OUTLIER Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.801 -1.32 . . . . 0.0 109.801 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -78.7 130.33 35.7 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.375 -1.073 . . . . 0.0 109.265 -179.818 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' ' 54' ' ' VAL . 10.2 m -93.49 145.13 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 120.988 -1.07 . . . . 0.0 109.381 -179.564 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 . . . . . 0 N--CA 1.501 2.105 0 O-C-N 121.034 -1.041 . . . . 0.0 109.663 -179.608 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.432 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 34.5 m-85 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.498 0.666 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 71.1 mt -60.84 -40.28 92.24 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.331 -0.856 . . . . 0.0 110.335 -179.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -63.24 -39.8 95.63 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.462 -0.774 . . . . 0.0 111.036 -178.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.62 -32.77 84.24 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.217 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 73.4 mt -68.68 -40.06 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.423 -1.045 . . . . 0.0 110.329 -179.678 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -60.26 -48.46 81.65 Favored 'General case' 0 C--N 1.298 -1.663 0 O-C-N 121.051 -1.03 . . . . 0.0 109.476 -178.685 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -69.27 -40.02 78.03 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.243 -0.91 . . . . 0.0 109.556 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.34 -28.72 65.36 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 110.062 -179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -58.99 139.72 56.47 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.177 -0.952 . . . . 0.0 109.843 -178.559 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -165.72 167.08 17.42 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.447 -0.783 . . . . 0.0 109.258 -179.165 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' B' ' 13' ' ' GLU . 49.8 mp0 -59.9 157.58 12.24 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.063 -1.023 . . . . 0.0 109.586 -179.44 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.409 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 75.2 t60 -65.23 71.31 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.347 -0.846 . . . . 0.0 109.107 179.978 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 11' ' ' GLU . 52.9 mm-40 -90.49 -161.39 0.79 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.411 -0.806 . . . . 0.0 109.81 -179.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -69.08 -28.16 66.25 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.461 -0.774 . . . . 0.0 109.333 179.724 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -60.06 -36.45 77.35 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.313 -0.867 . . . . 0.0 110.05 -179.706 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -60.33 -40.27 90.03 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.745 -1.222 . . . . 0.0 109.805 -179.85 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 54.3 p -60.33 -41.47 93.64 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 109.213 179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -96.01 88.79 4.99 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.076 -1.015 . . . . 0.0 109.273 179.479 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 28.2 p-90 -70.79 -27.66 64.07 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.199 -0.938 . . . . 0.0 110.736 -179.636 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -61.61 -40.11 93.66 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.02 -1.05 . . . . 0.0 109.357 -179.725 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.03 91.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.206 -0.934 . . . . 0.0 109.622 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 37.1 ttm -59.76 -47.52 85.36 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.27 -0.894 . . . . 0.0 109.874 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.45 -40.72 97.52 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.167 -0.958 . . . . 0.0 109.601 -179.322 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 42.5 t -69.52 -39.94 77.24 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.889 -179.808 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -60.49 -40.03 89.86 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -0.899 . . . . 0.0 110.416 -178.974 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -103.76 3.87 34.56 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.291 -0.881 . . . . 0.0 110.254 -179.133 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 55.84 45.87 23.35 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.566 -0.709 . . . . 0.0 110.399 179.545 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.551 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 72.7 mt -119.25 149.58 47.59 Favored Pre-proline 0 N--CA 1.498 1.949 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.382 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' B' ' 31' ' ' VAL . 35.5 Cg_endo -66.13 149.85 85.43 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 121.633 1.555 . . . . 0.0 111.386 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -40.98 -20.77 0.09 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.736 2.291 . . . . 0.0 112.787 -179.701 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 29' ' ' PRO . 99.2 t -59.52 -50.34 80.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.475 0 O-C-N 121.012 -1.055 . . . . 0.0 110.614 -177.87 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.4 t -67.43 -42.8 87.65 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 O-C-N 121.076 -1.015 . . . . 0.0 109.266 -179.411 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.417 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -63.16 -45.65 90.87 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 119.745 -0.782 . . . . 0.0 109.922 -179.747 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -63.23 -40.33 97.16 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.808 -1.182 . . . . 0.0 110.023 179.854 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -60.84 -40.43 92.81 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.051 -1.031 . . . . 0.0 109.878 -179.912 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 73.8 mt -67.42 -41.13 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.368 0 O-C-N 121.239 -0.913 . . . . 0.0 108.987 -179.507 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 33' ' ' ALA . 90.3 t -64.07 -39.2 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.103 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.49 -28.5 67.07 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.458 -0.776 . . . . 0.0 110.265 -179.222 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.1 m -74.7 -30.84 61.69 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.962 -1.086 . . . . 0.0 109.713 -179.126 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.1 t -74.83 117.54 16.78 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.897 -1.127 . . . . 0.0 109.145 179.864 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.91 -40.0 91.5 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.535 -0.728 . . . . 0.0 110.549 -179.29 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -59.91 -38.52 82.56 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.33 -0.856 . . . . 0.0 110.466 -179.743 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 99.4 m -74.01 -39.51 63.56 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.397 -0.814 . . . . 0.0 110.331 -178.84 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 17.5 tt0 -75.19 -77.66 0.12 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.372 -0.83 . . . . 0.0 110.71 -177.941 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 42.8 mt -75.11 129.46 37.59 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.167 -0.958 . . . . 0.0 109.392 -179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 ttmm -92.71 124.87 37.03 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.444 -0.785 . . . . 0.0 109.141 179.532 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 47.47 -128.86 14.43 Favored Glycine 0 N--CA 1.494 2.565 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.83 142.44 29.76 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.618 -0.93 . . . . 0.0 110.066 179.828 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.83 -78.33 0.39 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.246 -0.909 . . . . 0.0 110.411 179.621 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 68.0 mtt -79.67 153.13 29.55 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.285 -0.884 . . . . 0.0 110.411 -178.717 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.468 ' H ' ' H ' ' A' ' 52' ' ' GLY . 29.9 t-80 56.26 45.76 22.49 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.401 -0.812 . . . . 0.0 109.676 -179.849 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.401 ' H ' ' H ' ' A' ' 51' ' ' HIS . . . -63.46 -120.8 0.01 OUTLIER Glycine 0 N--CA 1.496 2.685 0 C-N-CA 119.584 -1.293 . . . . 0.0 109.912 -179.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -79.37 132.6 36.46 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.065 -1.256 . . . . 0.0 109.135 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.423 HG22 ' H ' ' B' ' 54' ' ' VAL . 10.0 m -95.33 143.9 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.036 0 O-C-N 121.277 -0.89 . . . . 0.0 109.507 -179.996 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 p-10 . . . . . 0 N--CA 1.493 1.721 0 O-C-N 121.002 -1.061 . . . . 0.0 109.237 179.732 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' B' ' 1' ' ' PHE . 62.6 m-85 . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.46 -39.84 95.54 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.22 -0.925 . . . . 0.0 110.558 -179.831 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -66.12 -43.39 87.27 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.387 -0.821 . . . . 0.0 110.502 -179.339 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.16 -35.51 92.18 Favored Glycine 0 N--CA 1.484 1.873 0 N-CA-C 108.94 -1.664 . . . . 0.0 108.94 179.374 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 61.1 mt -67.26 -39.84 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.139 -1.212 . . . . 0.0 110.856 -179.233 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -59.72 -45.14 93.06 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.817 -1.177 . . . . 0.0 109.06 -178.368 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.41 -40.57 77.25 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 121.022 -1.049 . . . . 0.0 110.268 179.388 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.58 -30.04 66.63 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.416 -0.803 . . . . 0.0 110.575 -179.729 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.32 140.33 58.01 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.23 -0.919 . . . . 0.0 108.908 -179.216 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -170.86 169.47 6.82 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-O 121.994 0.902 . . . . 0.0 110.269 -179.293 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -51.01 149.77 3.42 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.773 0.797 . . . . 0.0 110.608 -179.413 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 66.5 t60 -65.8 81.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 121.671 0.748 . . . . 0.0 110.012 179.907 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -100.82 -163.0 0.98 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.544 -0.723 . . . . 0.0 109.543 179.788 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.22 -25.32 63.34 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.422 -0.799 . . . . 0.0 109.435 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -60.39 -38.04 82.7 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.685 -0.635 . . . . 0.0 109.562 -179.324 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -60.25 -39.57 87.23 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.25 -0.906 . . . . 0.0 108.808 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.3 p -60.81 -44.65 96.6 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 118.983 -1.087 . . . . 0.0 108.291 179.247 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -92.62 87.99 6.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.175 -0.953 . . . . 0.0 109.151 178.928 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.3 p-90 -70.9 -27.95 64.17 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.27 -0.894 . . . . 0.0 109.714 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -59.81 -41.12 90.55 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.323 -0.861 . . . . 0.0 110.307 -179.461 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.35 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.221 -0.924 . . . . 0.0 109.577 179.924 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.0 ttm -61.31 -48.71 80.13 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.345 -0.847 . . . . 0.0 110.284 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -63.13 -41.0 99.22 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.275 -0.891 . . . . 0.0 109.548 -179.985 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.2 t -67.13 -40.03 86.73 Favored 'General case' 0 C--N 1.303 -1.44 0 O-C-N 121.007 -1.058 . . . . 0.0 109.428 179.783 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -61.9 -40.32 95.04 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.94 -1.1 . . . . 0.0 110.477 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -101.71 -2.77 29.47 Favored 'General case' 0 N--CA 1.502 2.168 0 O-C-N 121.331 -0.856 . . . . 0.0 110.134 -179.701 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.2 m-20 54.27 48.43 20.8 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.395 -0.815 . . . . 0.0 110.733 -179.928 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -119.05 146.12 39.64 Favored Pre-proline 0 N--CA 1.504 2.244 0 O-C-N 121.259 -0.901 . . . . 0.0 108.876 179.535 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.558 ' O ' ' N ' ' A' ' 31' ' ' VAL . 75.2 Cg_exo -47.89 139.49 19.6 Favored 'Trans proline' 0 N--CA 1.496 1.67 0 C-N-CA 121.747 1.631 . . . . 0.0 111.262 178.408 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -42.16 -15.73 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.327 2.018 . . . . 0.0 111.516 179.097 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.558 ' N ' ' O ' ' A' ' 29' ' ' PRO . 69.6 t -60.01 -49.87 82.33 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.666 -0.647 . . . . 0.0 110.976 -177.827 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.97 -44.92 92.14 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.554 0 O-C-N 121.017 -1.052 . . . . 0.0 108.956 -179.295 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.77 91.75 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.212 -0.93 . . . . 0.0 110.115 179.686 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -62.89 -39.86 95.76 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.813 -1.179 . . . . 0.0 110.672 179.555 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.26 -41.45 93.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.703 -1.248 . . . . 0.0 109.63 -179.411 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.85 -40.1 87.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.875 0 O-C-N 121.285 -0.884 . . . . 0.0 109.235 179.371 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.77 -39.93 87.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.637 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 179.791 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.29 -35.03 78.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.751 -0.593 . . . . 0.0 110.428 -179.368 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 66.0 m -71.88 -30.33 65.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.09 -1.006 . . . . 0.0 110.145 -178.311 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 33.4 t -72.93 111.64 8.23 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.209 -0.932 . . . . 0.0 108.566 179.637 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.11 -40.35 89.39 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.071 -1.018 . . . . 0.0 110.769 -178.819 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -59.64 -39.47 84.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.053 -1.029 . . . . 0.0 110.453 -178.982 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.0 m -75.07 -39.84 60.55 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.064 -1.022 . . . . 0.0 110.115 -178.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -79.81 -70.02 0.54 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.581 -0.699 . . . . 0.0 111.095 -177.679 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.3 mt -68.58 148.76 50.04 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.174 -1.011 . . . . 0.0 110.478 -178.167 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -88.48 173.9 8.41 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.648 -0.657 . . . . 0.0 110.092 -179.262 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.14 -91.86 0.01 OUTLIER Glycine 0 N--CA 1.496 2.646 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -179.713 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -113.28 29.86 7.66 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.058 -1.26 . . . . 0.0 111.266 -178.362 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 50.11 -149.9 0.24 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.837 -1.164 . . . . 0.0 110.051 179.137 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 51.0 tpp -86.55 130.14 34.6 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.3 -0.875 . . . . 0.0 110.124 -179.257 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -159.27 114.95 2.53 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 -179.9 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -86.35 176.41 48.36 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -89.79 121.25 31.76 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.504 -0.998 . . . . 0.0 109.021 179.824 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 54' ' ' VAL . 10.2 p -105.23 9.51 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 CA-C-O 122.004 0.907 . . . . 0.0 109.042 -179.775 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 120.982 -1.074 . . . . 0.0 109.682 -179.526 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . 0.616 ' CZ ' ' CZ ' ' A' ' 1' ' ' PHE . 61.9 m-85 . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.21 -40.54 96.43 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.339 -0.851 . . . . 0.0 110.317 -179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -65.47 -40.51 93.22 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.539 -0.726 . . . . 0.0 110.326 -179.111 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.72 -34.17 86.56 Favored Glycine 0 N--CA 1.487 2.037 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -179.72 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 66.1 mt -68.05 -39.83 82.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.506 0 O-C-N 121.819 -0.813 . . . . 0.0 110.993 -179.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -59.92 -45.58 92.12 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.786 -1.196 . . . . 0.0 109.1 -178.48 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -69.77 -40.38 76.11 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.284 -0.885 . . . . 0.0 110.012 179.018 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.93 -30.82 68.3 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.146 -0.971 . . . . 0.0 110.35 -179.132 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -61.14 140.42 57.9 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.285 -0.884 . . . . 0.0 109.472 -179.352 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -170.16 169.27 7.95 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.337 -0.852 . . . . 0.0 109.986 -179.491 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -51.1 152.4 2.31 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.324 -0.86 . . . . 0.0 110.634 -179.22 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.42 ' O ' ' CD2' ' B' ' 12' ' ' HIS . 70.5 t60 -67.07 80.37 0.12 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.504 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -99.92 -162.72 0.97 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.497 -0.752 . . . . 0.0 109.824 179.455 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -70.37 -26.96 63.96 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.533 -0.73 . . . . 0.0 109.378 -179.614 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -59.38 -37.11 77.12 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.898 . . . . 0.0 109.135 -179.404 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -60.04 -40.05 88.05 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.81 -1.182 . . . . 0.0 109.432 179.498 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 93.6 p -60.95 -41.33 96.08 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.783 -1.198 . . . . 0.0 108.736 179.856 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -96.3 85.43 3.96 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.554 -0.716 . . . . 0.0 109.403 179.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -69.93 -26.6 64.21 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.153 -0.967 . . . . 0.0 110.635 -179.691 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.38 -40.86 92.37 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.012 -1.055 . . . . 0.0 110.334 -179.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.15 92.59 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 120.849 -1.157 . . . . 0.0 109.451 -179.792 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.4 ttm -60.13 -47.32 86.42 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 121.035 -1.041 . . . . 0.0 110.105 -179.673 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.62 -41.1 98.31 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.419 -0.8 . . . . 0.0 109.582 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.9 t -68.47 -39.45 81.4 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.281 -0.887 . . . . 0.0 109.363 179.862 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -62.24 -40.35 95.87 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.124 -0.985 . . . . 0.0 110.09 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -101.69 -3.85 27.52 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.382 -0.823 . . . . 0.0 110.153 179.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 23' ' ' ALA . 2.2 m-20 55.99 48.66 17.34 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 29.4 mt -119.62 145.61 39.53 Favored Pre-proline 0 N--CA 1.501 2.087 0 O-C-N 121.359 -0.838 . . . . 0.0 109.072 179.177 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.526 ' O ' ' N ' ' B' ' 31' ' ' VAL . 72.9 Cg_exo -47.82 139.29 19.51 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 C-N-CA 121.619 1.546 . . . . 0.0 111.701 178.454 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -41.61 -17.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.28 1.987 . . . . 0.0 111.744 179.09 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.526 ' N ' ' O ' ' B' ' 29' ' ' PRO . 59.2 t -58.99 -49.33 83.61 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.664 -0.648 . . . . 0.0 110.749 -178.322 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -65.87 -43.12 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.009 -1.057 . . . . 0.0 109.428 -179.486 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -64.54 -45.3 87.71 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.444 -0.785 . . . . 0.0 109.802 179.847 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -63.06 -40.03 96.5 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.025 -1.047 . . . . 0.0 110.338 179.794 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -61.09 -40.44 93.74 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.836 -1.165 . . . . 0.0 109.417 -179.464 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 91.7 mt -65.79 -40.68 88.41 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 120.999 -1.063 . . . . 0.0 109.171 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.408 HG23 ' O ' ' B' ' 33' ' ' ALA . 78.3 t -63.35 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 179.784 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.88 -30.62 70.03 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.704 -0.622 . . . . 0.0 110.223 -179.633 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -74.16 -30.3 62.19 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 120.695 -1.253 . . . . 0.0 109.708 -178.696 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 36.8 t -73.48 111.34 8.52 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.272 -0.893 . . . . 0.0 108.613 -179.818 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -59.88 -40.48 88.84 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.165 -0.96 . . . . 0.0 110.17 -178.863 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -60.11 -40.24 89.01 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.044 -1.035 . . . . 0.0 110.131 -179.084 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 97.6 m -74.28 -39.94 62.62 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.745 -1.222 . . . . 0.0 110.493 -179.253 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -79.19 -69.86 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.365 -0.835 . . . . 0.0 110.951 -177.592 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.79 145.23 52.32 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 122.018 0.913 . . . . 0.0 111.166 -178.065 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' B' ' 47' ' ' GLY . 66.3 mttm -85.18 171.44 11.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.501 -0.75 . . . . 0.0 111.16 -179.619 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' B' ' 46' ' ' LYS . . . -35.76 -91.45 0.01 OUTLIER Glycine 0 N--CA 1.496 2.69 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.531 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -115.27 30.09 7.59 Favored 'General case' 0 N--CA 1.505 2.32 0 O-C-N 121.307 -1.113 . . . . 0.0 110.706 -178.9 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . 51.04 -146.21 0.46 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.946 -1.096 . . . . 0.0 110.232 179.205 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 50.5 tpp -89.2 126.63 35.56 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.318 -0.863 . . . . 0.0 109.828 -179.302 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -155.16 117.27 4.16 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.08 -1.012 . . . . 0.0 108.859 178.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -87.29 177.23 47.3 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.039 -1.624 . . . . 0.0 109.039 -179.864 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -91.52 122.71 34.35 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.005 -1.291 . . . . 0.0 109.14 -179.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.41 HG22 ' O ' ' B' ' 54' ' ' VAL . 8.6 p -105.4 8.68 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 121.228 -0.92 . . . . 0.0 108.819 -179.379 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 57.6 t0 . . . . . 0 C--N 1.3 -1.568 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.644 179.905 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.431 0.634 . . . . 0.0 109.493 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.53 -40.13 90.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.3 -0.875 . . . . 0.0 109.821 -179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.2 -40.69 98.22 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.203 -0.936 . . . . 0.0 110.234 -179.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.92 -39.43 98.03 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 108.991 -1.643 . . . . 0.0 108.991 179.777 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 67.9 mt -65.73 -40.07 86.7 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.61 0 O-C-N 121.79 -0.83 . . . . 0.0 110.41 -179.817 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.01 -48.38 81.96 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.992 -1.067 . . . . 0.0 110.039 -179.077 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -68.97 -40.05 79.1 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 120.945 -1.097 . . . . 0.0 109.387 179.7 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.03 -28.87 65.82 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.341 -0.85 . . . . 0.0 109.61 179.993 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.84 139.65 58.34 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.296 -0.877 . . . . 0.0 109.265 -179.216 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 11' ' ' GLU . 2.8 tp10 -168.75 -170.03 1.12 Allowed 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.952 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' H ' ' HG3' ' A' ' 10' ' ' GLU . 13.0 pt-20 -73.58 161.49 30.28 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.98 -1.075 . . . . 0.0 109.618 -179.661 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -71.64 79.61 0.82 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.382 -0.824 . . . . 0.0 109.615 -179.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -101.53 -151.44 0.41 Allowed 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.397 -0.815 . . . . 0.0 109.998 -179.689 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -70.06 -34.11 72.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.406 -0.809 . . . . 0.0 109.828 -179.83 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.236 -0.915 . . . . 0.0 109.801 -179.126 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.22 -40.74 91.2 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.943 -1.098 . . . . 0.0 109.382 179.847 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -62.53 -45.38 93.23 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.985 -1.072 . . . . 0.0 108.94 179.604 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.77 88.63 4.09 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.384 -0.823 . . . . 0.0 109.311 179.395 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -69.94 -28.28 65.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.228 -0.92 . . . . 0.0 110.017 -179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.49 -40.03 89.84 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.088 -1.008 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.16 -39.91 88.06 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.117 -0.99 . . . . 0.0 109.301 -179.81 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.7 ttm -61.79 -43.51 98.71 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.414 -0.804 . . . . 0.0 110.15 -179.693 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 28' ' ' LEU . . . -63.02 -41.31 99.51 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.028 -1.045 . . . . 0.0 110.095 -179.269 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -69.44 -39.95 77.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.276 -0.89 . . . . 0.0 110.147 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -60.86 -39.99 91.24 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.203 -0.936 . . . . 0.0 110.144 -179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 82.0 m-85 -100.01 1.44 42.49 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.311 -0.868 . . . . 0.0 109.956 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m120 55.96 43.43 27.3 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.36 -0.837 . . . . 0.0 110.255 179.337 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 67.4 mt -116.12 152.38 47.7 Favored Pre-proline 0 N--CA 1.5 2.058 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.52 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.5 Cg_endo -70.6 149.8 62.07 Favored 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 121.538 1.492 . . . . 0.0 111.058 179.764 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -41.65 -17.69 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.015 1.81 . . . . 0.0 112.067 -179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.52 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.2 t -59.87 -50.07 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.138 -0.976 . . . . 0.0 110.606 -178.324 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.53 -43.22 83.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.792 -1.193 . . . . 0.0 109.317 -179.747 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.99 94.29 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.904 . . . . 0.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.29 -40.0 92.51 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.019 -1.051 . . . . 0.0 110.182 179.626 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -60.15 -40.25 89.22 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.98 -1.075 . . . . 0.0 109.912 -179.31 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.7 -40.0 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.095 -1.003 . . . . 0.0 108.75 179.758 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 51.4 t -61.11 -40.03 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.259 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.11 -34.04 76.75 Favored 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.47 -0.769 . . . . 0.0 109.472 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.2 m -73.67 -40.17 63.88 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.222 -0.924 . . . . 0.0 110.447 -179.165 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.9 t -78.14 113.38 16.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.006 -1.059 . . . . 0.0 108.962 179.757 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -60.13 -39.98 88.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.257 -0.902 . . . . 0.0 110.476 -179.213 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -60.39 -39.94 89.11 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.135 -0.978 . . . . 0.0 110.427 -179.086 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 62.1 m -75.18 -36.31 61.48 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.97 -1.081 . . . . 0.0 109.922 -179.57 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.579 ' NE2' ' OE1' ' B' ' 44' ' ' GLN . 56.0 tt0 -79.56 -71.79 0.43 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.423 -0.798 . . . . 0.0 110.652 -178.25 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.6 mt -73.42 136.54 44.3 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.264 -0.897 . . . . 0.0 109.86 -178.922 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -89.01 -12.99 39.86 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.238 -0.914 . . . . 0.0 108.841 179.575 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.75 -7.29 62.76 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' O ' ' CE1' ' A' ' 51' ' ' HIS . 55.0 tt0 -59.98 -40.53 89.43 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.963 -1.316 . . . . 0.0 109.226 -179.819 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 48' ' ' GLU . . . 47.36 -175.12 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.398 -0.814 . . . . 0.0 109.626 -179.988 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.0 ttt -90.9 -0.83 57.83 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.317 -0.864 . . . . 0.0 109.588 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.5 ' CE1' ' O ' ' A' ' 48' ' ' GLU . 16.6 p-80 -59.51 -21.96 60.93 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.851 -1.156 . . . . 0.0 109.808 -179.279 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' O ' ' O ' ' A' ' 51' ' ' HIS . . . -48.27 -96.2 0.01 OUTLIER Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 -179.837 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -78.57 146.63 34.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.092 -1.24 . . . . 0.0 109.045 179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.0 t -107.2 122.68 61.69 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.533 -0.73 . . . . 0.0 109.158 179.791 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.3 t0 . . . . . 0 N--CA 1.493 1.692 0 CA-C-O 118.046 -0.978 . . . . 0.0 109.563 -179.804 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.381 0.61 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 45.3 mt -60.53 -40.14 90.42 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.287 -0.883 . . . . 0.0 109.818 -179.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.15 -40.71 98.35 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.169 -0.957 . . . . 0.0 110.285 -179.642 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.99 -39.4 98.03 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 179.771 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 68.2 mt -65.69 -40.0 86.56 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 O-C-N 121.796 -0.826 . . . . 0.0 110.41 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -60.06 -48.44 81.7 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.009 -1.057 . . . . 0.0 110.04 -179.106 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -69.02 -39.96 78.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.918 -1.114 . . . . 0.0 109.411 179.724 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.05 -28.89 65.83 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.33 -0.856 . . . . 0.0 109.685 179.928 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.79 139.54 58.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.247 -179.28 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.41 ' HG3' ' H ' ' B' ' 11' ' ' GLU . 2.8 tp10 -168.65 -170.06 1.14 Allowed 'General case' 0 N--CA 1.49 1.57 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.991 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.41 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 13.0 pt-20 -73.64 161.47 30.26 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.044 -1.035 . . . . 0.0 109.7 -179.678 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -71.58 79.48 0.81 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.351 -0.843 . . . . 0.0 109.655 -179.536 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -101.37 -151.44 0.41 Allowed 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.336 -0.852 . . . . 0.0 109.976 -179.679 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.98 -34.31 73.19 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.496 -0.752 . . . . 0.0 109.849 -179.93 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -59.93 -39.96 87.27 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.345 -0.847 . . . . 0.0 109.767 -179.112 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -60.36 -40.9 92.45 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.007 -1.058 . . . . 0.0 109.302 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.7 p -62.29 -45.48 93.06 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.945 -1.097 . . . . 0.0 108.992 179.586 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -98.81 88.77 4.11 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.425 -0.797 . . . . 0.0 109.257 179.427 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.9 p-90 -70.0 -28.3 65.39 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 109.978 -179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.53 -39.97 89.78 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.103 -0.998 . . . . 0.0 110.029 -179.454 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.1 -39.95 87.95 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.188 -0.945 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.6 ttm -61.85 -43.46 98.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.443 -0.786 . . . . 0.0 110.14 -179.708 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.438 ' HB1' ' O ' ' B' ' 28' ' ' LEU . . . -62.97 -41.34 99.51 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.051 -1.031 . . . . 0.0 110.115 -179.284 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 22.2 t -69.35 -39.98 77.77 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.229 -0.919 . . . . 0.0 110.196 -179.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.8 -40.07 91.27 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.231 -0.918 . . . . 0.0 110.142 -179.526 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -99.99 1.42 42.54 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.287 -0.883 . . . . 0.0 109.897 -179.451 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 34.4 m120 55.89 43.56 27.29 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.442 -0.786 . . . . 0.0 110.338 179.416 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.438 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 67.7 mt -116.26 152.39 47.87 Favored Pre-proline 0 N--CA 1.501 2.089 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.78 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.516 ' O ' ' N ' ' B' ' 31' ' ' VAL . 57.3 Cg_endo -70.59 149.75 62.08 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 121.574 1.516 . . . . 0.0 111.118 179.749 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -41.57 -17.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.124 1.882 . . . . 0.0 111.964 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' B' ' 29' ' ' PRO . 58.7 t -60.03 -49.99 81.87 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.522 0 O-C-N 121.116 -0.99 . . . . 0.0 110.615 -178.224 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.0 t -68.56 -43.09 83.8 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 O-C-N 120.833 -1.167 . . . . 0.0 109.343 -179.783 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.03 -39.98 94.17 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.171 -0.955 . . . . 0.0 109.605 179.886 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 52.6 mmtt -61.35 -40.07 92.93 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.98 -1.075 . . . . 0.0 110.082 179.669 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.15 -40.17 88.94 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.037 -1.039 . . . . 0.0 110.013 -179.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 87.5 mt -62.63 -40.09 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.067 -1.02 . . . . 0.0 108.599 179.769 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.23 -39.95 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.474 -0.766 . . . . 0.0 108.965 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.473 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.27 -33.88 76.23 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.543 -0.723 . . . . 0.0 109.465 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -73.77 -39.96 63.79 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.139 -0.976 . . . . 0.0 110.428 -179.174 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -78.17 113.25 15.95 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.979 -1.076 . . . . 0.0 108.958 179.68 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -60.08 -40.06 88.24 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.451 -179.277 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.31 -39.99 88.95 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.168 -0.958 . . . . 0.0 110.384 -179.026 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 62.4 m -75.29 -36.15 61.2 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.014 -1.054 . . . . 0.0 109.94 -179.616 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.579 ' OE1' ' NE2' ' A' ' 44' ' ' GLN . 6.9 tt0 -79.53 -71.91 0.42 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.395 -0.816 . . . . 0.0 110.696 -178.314 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -73.41 136.37 44.29 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.196 -0.94 . . . . 0.0 109.915 -178.985 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -88.74 -12.77 41.28 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.23 -0.919 . . . . 0.0 108.92 179.54 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.38 -7.08 61.97 Favored Glycine 0 N--CA 1.489 2.191 0 N-CA-C 110.014 -1.235 . . . . 0.0 110.014 179.571 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.495 ' O ' ' CE1' ' B' ' 51' ' ' HIS . 54.4 tt0 -60.1 -40.47 89.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.972 -1.311 . . . . 0.0 109.098 -179.77 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.449 ' O ' ' O ' ' B' ' 48' ' ' GLU . . . 47.31 -175.02 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.474 -0.766 . . . . 0.0 109.605 -179.964 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 24.9 ttt -91.0 -0.49 57.76 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.254 -0.904 . . . . 0.0 109.496 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' O ' ' B' ' 48' ' ' GLU . 16.6 p-80 -59.86 -21.89 61.57 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.876 -1.14 . . . . 0.0 109.8 -179.218 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' B' ' 51' ' ' HIS . . . -48.32 -96.07 0.01 OUTLIER Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.763 -1.335 . . . . 0.0 109.763 -179.787 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -78.59 147.16 33.81 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.182 -1.187 . . . . 0.0 109.135 179.829 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 86.3 t -107.67 122.66 62.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.486 -0.759 . . . . 0.0 109.23 179.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 118.076 -0.964 . . . . 0.0 109.523 -179.662 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.588 0.708 . . . . 0.0 109.824 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 52.4 mt -60.52 -40.03 90.0 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.456 -0.778 . . . . 0.0 110.031 -179.313 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.25 -41.28 99.04 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.93 -1.106 . . . . 0.0 109.659 -179.722 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.79 -38.08 95.63 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 108.898 -1.681 . . . . 0.0 108.898 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.13 -40.01 82.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 O-C-N 121.792 -0.828 . . . . 0.0 110.298 -179.855 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -60.15 -46.12 90.75 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.959 -1.088 . . . . 0.0 110.217 -178.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -44.33 81.27 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.34 75.14 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.489 -0.757 . . . . 0.0 110.369 -179.79 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -61.36 123.86 18.97 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.19 -0.944 . . . . 0.0 110.049 -178.693 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -148.31 -164.92 2.13 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.961 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.55 154.78 41.51 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 120.932 -1.105 . . . . 0.0 108.985 179.519 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.403 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 72.9 t60 -63.3 82.63 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.243 -0.91 . . . . 0.0 110.318 -178.606 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.7 mt-10 -91.33 -172.43 3.28 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.621 -0.674 . . . . 0.0 109.27 179.578 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -68.8 -26.63 65.29 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.469 -0.769 . . . . 0.0 109.129 -179.944 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -59.59 -33.54 71.59 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.35 -0.844 . . . . 0.0 109.506 -179.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -59.93 -40.42 88.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.065 -1.022 . . . . 0.0 109.013 -179.805 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 82.7 p -60.05 -44.03 94.98 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.924 -1.11 . . . . 0.0 108.812 179.268 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.22 92.53 7.29 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.332 -0.855 . . . . 0.0 109.062 179.466 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.37 -27.3 64.22 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.193 -0.942 . . . . 0.0 110.011 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.02 -40.17 92.55 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.218 -0.926 . . . . 0.0 110.161 -179.054 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.79 -40.02 91.03 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.119 -0.988 . . . . 0.0 109.798 179.789 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 36' ' ' ILE . 33.6 ttm -63.31 -42.18 98.99 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.33 -0.856 . . . . 0.0 109.564 -179.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -64.17 -43.67 94.41 Favored 'General case' 0 C--N 1.3 -1.55 0 O-C-N 121.386 -0.821 . . . . 0.0 109.843 -179.545 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.2 t -68.52 -40.18 80.88 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.269 -0.895 . . . . 0.0 110.104 -179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -62.69 -39.9 95.45 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.157 -0.964 . . . . 0.0 110.22 -179.391 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -101.88 0.05 34.85 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.475 -0.765 . . . . 0.0 109.902 -179.937 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 23' ' ' ALA . 96.9 m-20 54.61 47.34 22.85 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.36 -0.837 . . . . 0.0 110.143 179.639 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' A' ' 23' ' ' ALA . 56.2 mt -119.23 150.29 48.94 Favored Pre-proline 0 N--CA 1.5 2.064 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.22 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -68.65 160.77 48.05 Favored 'Trans proline' 0 C--N 1.313 -1.336 0 C-N-CA 121.769 1.646 . . . . 0.0 111.158 179.433 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -51.9 -19.76 8.87 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.479 2.119 . . . . 0.0 111.797 -179.201 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.88 -50.53 79.75 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 120.987 -1.07 . . . . 0.0 110.38 -178.603 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 63.1 t -68.97 -46.83 78.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 O-C-N 120.956 -1.09 . . . . 0.0 109.394 -179.715 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.99 98.34 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.234 -0.916 . . . . 0.0 110.123 -179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.5 mmtt -63.69 -39.82 95.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.704 -1.247 . . . . 0.0 109.584 179.876 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 tm-20 -60.46 -41.58 94.41 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.987 -1.071 . . . . 0.0 109.833 -179.622 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.431 HD12 ' SD ' ' A' ' 22' ' ' MET . 80.7 mt -61.23 -40.16 85.01 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.887 -1.133 . . . . 0.0 108.632 179.461 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.07 -39.8 83.52 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.437 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 178.948 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.36 -36.21 80.91 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.671 -0.643 . . . . 0.0 110.058 179.562 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.2 m -71.93 -39.82 69.18 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.123 -0.985 . . . . 0.0 110.478 -178.604 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 14.2 t -75.1 114.06 13.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.885 -1.134 . . . . 0.0 108.288 179.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -60.14 -40.25 89.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.252 -0.905 . . . . 0.0 110.213 -178.7 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -60.0 -40.11 88.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.088 -1.007 . . . . 0.0 109.25 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.403 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 11.7 m -79.72 -37.24 36.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.105 -0.997 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -68.17 -59.11 3.47 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.35 -0.844 . . . . 0.0 111.378 -178.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.9 mt -82.02 83.46 7.28 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.973 -1.079 . . . . 0.0 109.118 -179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -95.42 -22.6 17.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.346 -0.846 . . . . 0.0 110.156 -179.772 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -81.9 176.11 54.01 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.797 -1.321 . . . . 0.0 109.797 -179.429 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -85.57 125.39 33.07 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.399 -1.059 . . . . 0.0 108.674 179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.99 -73.09 0.53 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.085 -1.01 . . . . 0.0 109.676 -179.847 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -60.66 143.05 54.96 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.277 -0.889 . . . . 0.0 109.789 -179.735 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.668 ' CG ' ' H ' ' A' ' 52' ' ' GLY . 34.9 t60 59.92 -160.63 0.29 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.557 -0.714 . . . . 0.0 109.708 179.937 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.668 ' H ' ' CG ' ' A' ' 51' ' ' HIS . . . 92.28 63.75 1.13 Allowed Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 -179.772 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 64.92 68.31 0.52 Allowed 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.718 -0.872 . . . . 0.0 109.41 -179.552 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.86 136.21 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.527 -0.733 . . . . 0.0 109.5 -179.92 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 118.11 -0.948 . . . . 0.0 108.983 -179.858 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.645 0.736 . . . . 0.0 109.714 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 59.5 mt -59.99 -40.43 89.15 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.558 -0.713 . . . . 0.0 110.078 -179.524 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.44 -40.53 97.39 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.83 -1.169 . . . . 0.0 109.68 -179.741 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.9 95.15 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.886 -1.686 . . . . 0.0 108.886 179.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 67.1 mt -67.96 -40.04 82.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.438 0 O-C-N 121.723 -0.869 . . . . 0.0 110.726 179.91 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -60.43 -45.24 94.36 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.789 -1.194 . . . . 0.0 110.328 -178.55 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -67.5 -43.71 80.25 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.18 -0.95 . . . . 0.0 109.623 -179.587 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.06 -35.81 74.51 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.596 -0.69 . . . . 0.0 110.244 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.19 124.42 20.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.083 -1.01 . . . . 0.0 109.88 -178.66 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -148.54 -165.03 2.16 Favored 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.09 155.79 40.11 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.09 -1.006 . . . . 0.0 108.874 179.512 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -64.43 81.96 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.303 -0.873 . . . . 0.0 110.331 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -90.58 -172.77 3.52 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.498 -0.751 . . . . 0.0 109.372 179.538 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -68.48 -27.44 66.15 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.976 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -58.95 -33.43 70.61 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.317 -0.865 . . . . 0.0 109.639 -179.889 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -59.9 -40.33 88.4 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 120.891 -1.13 . . . . 0.0 109.058 -179.846 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 84.9 p -59.99 -43.83 94.92 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.801 -1.187 . . . . 0.0 108.606 179.476 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -94.44 92.58 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.21 -0.931 . . . . 0.0 109.292 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -70.36 -26.68 63.84 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.902 -1.124 . . . . 0.0 110.093 -179.984 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -61.78 -40.4 95.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.359 -0.838 . . . . 0.0 110.114 -179.034 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.04 -40.6 89.93 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.002 -1.061 . . . . 0.0 109.761 179.84 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.4 ' SD ' HD12 ' B' ' 36' ' ' ILE . 33.3 ttm -62.86 -42.58 99.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.278 -0.889 . . . . 0.0 109.749 -179.869 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -63.58 -43.96 95.45 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.535 -0.728 . . . . 0.0 109.929 -179.539 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 48.5 t -69.0 -39.83 79.11 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.432 -0.793 . . . . 0.0 110.113 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -62.41 -40.0 95.09 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.736 -179.583 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -101.88 -0.0 34.75 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.306 -0.871 . . . . 0.0 110.042 -179.801 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.466 ' N ' ' O ' ' B' ' 23' ' ' ALA . 97.1 m-20 55.04 47.09 22.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.346 -0.846 . . . . 0.0 110.09 179.568 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.429 ' O ' ' HB1' ' B' ' 23' ' ' ALA . 59.1 mt -119.5 150.74 50.44 Favored Pre-proline 0 N--CA 1.5 2.028 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 179.319 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -68.75 161.24 46.25 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 121.57 1.513 . . . . 0.0 111.069 179.529 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -52.24 -19.69 9.75 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.384 2.056 . . . . 0.0 111.63 -179.474 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 74.5 t -59.71 -50.68 79.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 120.819 -1.176 . . . . 0.0 110.308 -178.644 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 58.5 t -68.92 -45.71 80.11 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 O-C-N 121.011 -1.055 . . . . 0.0 109.509 -179.564 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.37 95.03 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.351 -0.843 . . . . 0.0 110.197 -179.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -63.99 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.906 -1.121 . . . . 0.0 109.492 179.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -59.98 -41.97 93.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.016 . . . . 0.0 110.056 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.4 HD12 ' SD ' ' B' ' 22' ' ' MET . 76.3 mt -61.0 -40.33 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.116 -0.99 . . . . 0.0 108.638 179.447 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -61.06 -39.85 83.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.669 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.34 -36.63 81.83 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.773 -0.579 . . . . 0.0 109.94 179.676 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 70.5 m -72.0 -40.16 68.73 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.085 -1.009 . . . . 0.0 110.411 -178.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 12.3 t -74.8 113.57 12.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.721 -1.237 . . . . 0.0 108.319 179.633 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.05 -40.23 88.73 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.4 -0.813 . . . . 0.0 110.25 -178.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -60.29 -39.78 88.14 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.908 -1.12 . . . . 0.0 109.243 -179.892 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 13.1 m -79.38 -38.36 35.13 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.102 -0.999 . . . . 0.0 110.07 179.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 43.5 tt0 -67.3 -59.79 3.12 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.17 -0.956 . . . . 0.0 111.311 -177.926 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.1 mt -81.24 84.53 6.57 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.926 -1.109 . . . . 0.0 109.115 179.765 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -96.22 -22.63 17.14 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.234 -0.916 . . . . 0.0 110.076 179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -82.43 176.21 53.6 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -179.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -85.92 125.18 33.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.548 -0.972 . . . . 0.0 108.552 179.939 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.01 -72.62 0.55 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.11 -0.994 . . . . 0.0 109.661 -179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -61.08 141.81 57.13 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.48 -0.763 . . . . 0.0 109.608 -179.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . 0.666 ' CG ' ' H ' ' B' ' 52' ' ' GLY . 31.8 t60 61.07 -159.97 0.31 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.703 -0.623 . . . . 0.0 109.557 -179.876 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . 0.666 ' H ' ' CG ' ' B' ' 51' ' ' HIS . . . 91.69 64.12 1.16 Allowed Glycine 0 N--CA 1.492 2.384 0 N-CA-C 109.199 -1.561 . . . . 0.0 109.199 -179.771 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 47.8 tp60 64.6 68.22 0.54 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.605 -0.939 . . . . 0.0 109.495 -179.54 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 8.2 p -93.74 135.94 26.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.842 0 O-C-N 121.411 -0.805 . . . . 0.0 109.7 -179.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 118.048 -0.977 . . . . 0.0 108.962 -179.91 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 121.436 0.636 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 77.8 mt -59.85 -40.1 87.4 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 121.476 -0.765 . . . . 0.0 110.104 -179.229 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -64.36 -40.39 95.77 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 110.398 -179.369 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.0 -39.0 95.08 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.638 -1.785 . . . . 0.0 108.638 -179.925 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 79.9 mt -64.15 -39.32 85.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.742 -0.857 . . . . 0.0 110.032 179.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.3 -49.56 77.11 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.074 -1.016 . . . . 0.0 110.368 -179.478 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -69.05 -40.15 78.72 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.94 -1.1 . . . . 0.0 109.016 -179.607 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.6 -33.58 72.89 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.614 -0.679 . . . . 0.0 110.281 179.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -64.15 133.96 53.93 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.315 -0.866 . . . . 0.0 109.748 -179.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.85 -164.93 2.07 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.307 -0.871 . . . . 0.0 109.113 -179.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -77.53 153.51 33.32 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.161 -0.962 . . . . 0.0 109.021 179.426 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -71.1 70.39 0.53 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.328 -0.857 . . . . 0.0 109.524 -179.524 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.92 -150.97 0.41 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.628 -0.67 . . . . 0.0 109.313 179.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -70.06 -30.25 67.46 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.067 -1.021 . . . . 0.0 110.517 179.864 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -60.15 -38.39 83.0 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.896 -1.128 . . . . 0.0 109.95 -179.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -59.96 -40.1 87.89 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.931 -1.106 . . . . 0.0 109.365 -179.828 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.7 p -61.88 -42.55 99.2 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.185 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -96.24 83.64 3.62 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 178.662 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -69.92 -25.2 63.56 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.143 -0.973 . . . . 0.0 109.156 -179.877 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 52.2 mtp180 -60.79 -40.15 91.57 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.105 -0.997 . . . . 0.0 110.087 -179.72 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.78 93.08 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.097 -1.002 . . . . 0.0 109.098 179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 36.6 ttp -64.61 -40.75 96.05 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.302 -0.874 . . . . 0.0 109.477 179.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -42.16 94.79 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.196 -0.94 . . . . 0.0 109.104 179.76 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 66.5 m -68.75 -39.79 80.12 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.483 -0.761 . . . . 0.0 110.54 -179.532 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -61.91 -39.78 93.2 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.285 -0.884 . . . . 0.0 110.499 -178.883 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -100.56 1.24 40.71 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.286 -0.884 . . . . 0.0 109.883 -179.549 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 55.38 47.25 21.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.381 -0.824 . . . . 0.0 109.696 179.632 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.96 149.95 46.37 Favored Pre-proline 0 N--CA 1.498 1.94 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 179.32 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' VAL . 56.2 Cg_endo -70.5 148.85 61.16 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 C-N-CA 121.683 1.589 . . . . 0.0 111.561 179.742 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -38.85 -25.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.313 -1.326 0 C-N-CA 122.567 2.178 . . . . 0.0 112.367 179.226 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' PRO . 66.5 t -53.07 -57.13 5.17 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 O-C-N 121.653 -0.654 . . . . 0.0 110.505 -178.741 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -64.36 -42.15 94.48 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.755 0 C-N-CA 119.583 -0.847 . . . . 0.0 109.21 -179.422 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.13 92.98 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.143 -0.973 . . . . 0.0 109.741 179.996 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -60.49 -39.76 88.87 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.161 -0.962 . . . . 0.0 110.208 179.89 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -60.24 -40.84 91.68 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.818 -1.176 . . . . 0.0 109.267 -179.603 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 85.8 mt -61.56 -41.33 89.75 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.11 -40.28 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.895 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.52 80.58 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.666 -0.646 . . . . 0.0 109.538 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.6 m -72.29 -37.44 68.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.258 -0.901 . . . . 0.0 109.446 -179.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.7 t -73.79 110.64 8.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.884 -1.135 . . . . 0.0 108.836 179.64 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.95 -40.54 89.34 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.344 -0.848 . . . . 0.0 110.367 -179.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 61.4 mmtt -60.44 -40.71 92.06 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.515 -0.741 . . . . 0.0 110.357 -178.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 58.6 m -76.81 -31.03 56.67 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.965 -1.085 . . . . 0.0 109.908 -179.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -75.13 -77.75 0.12 Allowed 'General case' 0 C--N 1.301 -1.527 0 O-C-N 121.347 -0.845 . . . . 0.0 109.964 -179.357 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.72 141.04 53.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.406 -0.809 . . . . 0.0 109.13 -179.748 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -82.78 -9.39 59.37 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.469 -0.769 . . . . 0.0 109.447 -179.238 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.22 -131.61 1.53 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.552 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 53.6 mt-10 -87.62 -0.47 56.92 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.588 -0.948 . . . . 0.0 109.851 -179.504 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.556 ' HB3' ' O ' ' A' ' 48' ' ' GLU . . . 71.07 -65.65 0.33 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.309 -0.869 . . . . 0.0 109.465 -179.821 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.9 ptm -80.86 148.05 30.11 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.176 -0.952 . . . . 0.0 109.782 179.932 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -130.11 144.03 51.12 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 166.85 100.52 0.14 Allowed Glycine 0 N--CA 1.489 2.175 0 N-CA-C 109.324 -1.51 . . . . 0.0 109.324 -179.841 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -93.02 12.76 22.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.504 -0.998 . . . . 0.0 109.575 -179.816 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 66.1 t -110.61 129.93 64.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.135 0 O-C-N 121.727 -0.608 . . . . 0.0 110.025 179.587 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.777 -1.106 . . . . 0.0 109.157 179.348 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 121.355 0.598 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 68.7 mt -60.03 -40.37 89.11 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.474 -0.766 . . . . 0.0 109.851 -178.951 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -63.36 -41.06 98.8 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.293 -0.879 . . . . 0.0 110.355 -179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.23 -38.55 94.69 Favored Glycine 0 N--CA 1.498 2.774 0 N-CA-C 109.226 -1.55 . . . . 0.0 109.226 179.639 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' B' ' 9' ' ' GLN . 73.3 mt -64.37 -39.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.449 0 O-C-N 121.547 -0.972 . . . . 0.0 109.904 179.967 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -59.93 -49.83 76.14 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.076 -1.015 . . . . 0.0 110.451 -179.592 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -68.31 -40.58 81.67 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.039 -1.038 . . . . 0.0 108.855 -179.854 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.36 -33.54 73.23 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.557 -0.714 . . . . 0.0 110.225 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' B' ' 5' ' ' ILE . 62.8 tt0 -64.26 133.96 53.8 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.255 -0.903 . . . . 0.0 109.816 -179.264 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -145.56 -165.0 2.07 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.202 -0.936 . . . . 0.0 109.085 179.689 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -77.08 156.93 31.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.327 -0.858 . . . . 0.0 109.058 179.595 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -74.05 69.98 1.51 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.276 -0.89 . . . . 0.0 109.511 -179.372 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -101.62 -151.22 0.41 Allowed 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.17 -30.28 67.38 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.01 -1.056 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -60.28 -38.3 83.15 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.072 -1.017 . . . . 0.0 109.776 -179.059 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -59.86 -40.37 88.38 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.08 -1.012 . . . . 0.0 109.004 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 80.4 p -61.44 -41.75 97.68 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 120.992 -1.068 . . . . 0.0 108.408 179.298 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -97.14 83.2 3.29 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.384 -0.823 . . . . 0.0 108.866 178.857 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.2 p-90 -69.82 -24.11 63.41 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.948 -1.095 . . . . 0.0 109.661 -179.643 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -61.79 -39.99 93.65 Favored 'General case' 0 N--CA 1.491 1.599 0 C-N-CA 119.77 -0.772 . . . . 0.0 109.963 -179.746 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.56 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.091 -1.006 . . . . 0.0 108.732 179.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 35.6 ttp -63.88 -40.29 96.19 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.051 -1.031 . . . . 0.0 109.439 179.8 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.78 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.123 -0.986 . . . . 0.0 109.168 179.592 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.6 m -69.24 -39.87 78.23 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.155 -0.966 . . . . 0.0 110.563 -179.666 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.72 -40.04 93.68 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.379 -0.826 . . . . 0.0 110.69 -178.637 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -100.25 1.57 41.94 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.237 -0.914 . . . . 0.0 109.878 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 55.96 45.35 24.04 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.36 -0.837 . . . . 0.0 109.861 179.499 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 61.7 mt -116.06 150.07 44.49 Favored Pre-proline 0 N--CA 1.503 2.179 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 179.478 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' B' ' 31' ' ' VAL . 58.4 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.312 -1.382 0 C-N-CA 121.6 1.533 . . . . 0.0 111.614 179.458 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -38.94 -25.62 0.1 OUTLIER 'Trans proline' 0 C--N 1.315 -1.208 0 C-N-CA 122.614 2.21 . . . . 0.0 111.968 179.583 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' B' ' 29' ' ' PRO . 68.1 t -52.85 -56.94 5.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.588 0 O-C-N 121.376 -0.828 . . . . 0.0 110.683 -178.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.03 -41.3 91.68 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 C-N-CA 119.425 -0.91 . . . . 0.0 109.294 -179.324 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.62 -40.34 92.48 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.003 -1.061 . . . . 0.0 109.848 179.696 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -60.9 -39.23 88.5 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.947 -1.096 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -60.35 -41.49 93.72 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.982 -1.074 . . . . 0.0 109.216 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 83.9 mt -60.79 -41.49 88.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -64.69 -40.35 88.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.624 0.726 . . . . 0.0 109.059 178.825 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -68.78 -38.98 80.41 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.673 0.749 . . . . 0.0 109.673 -179.944 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 67.7 m -72.58 -37.62 68.11 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.137 -0.977 . . . . 0.0 109.68 -179.547 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 16.0 t -74.1 111.51 9.33 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.958 -1.089 . . . . 0.0 109.03 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -60.45 -39.99 89.54 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.511 -0.743 . . . . 0.0 110.522 -179.053 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 63.1 mmtt -60.99 -39.97 91.68 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.235 -0.916 . . . . 0.0 110.565 -178.708 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.3 m -76.88 -32.13 57.24 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.146 -0.971 . . . . 0.0 109.741 -179.349 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 19.1 tt0 -74.35 -77.81 0.11 Allowed 'General case' 0 C--N 1.305 -1.368 0 O-C-N 121.346 -0.846 . . . . 0.0 109.984 -179.402 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 85.7 mt -69.92 141.61 53.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.36 -0.837 . . . . 0.0 108.888 -179.676 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -82.96 -8.88 59.52 Favored 'General case' 0 C--N 1.302 -1.475 0 CA-C-O 121.399 0.619 . . . . 0.0 109.358 -179.555 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.97 -132.76 1.75 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.556 -1.418 . . . . 0.0 109.556 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.517 ' O ' ' HB3' ' B' ' 49' ' ' ALA . 55.0 mt-10 -86.67 0.61 54.25 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.151 -1.206 . . . . 0.0 109.654 -179.879 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' B' ' 48' ' ' GLU . . . 68.69 -64.71 0.3 Allowed 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.677 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.441 ' N ' ' O ' ' B' ' 48' ' ' GLU . 22.2 ptm -80.77 147.72 30.38 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.259 -0.901 . . . . 0.0 109.725 179.922 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -130.38 141.8 50.54 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -179.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.62 102.41 0.16 Allowed Glycine 0 N--CA 1.491 2.34 0 N-CA-C 109.326 -1.51 . . . . 0.0 109.326 179.848 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -94.7 11.16 32.25 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.25 -1.147 . . . . 0.0 109.462 -179.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -110.11 130.1 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 O-C-N 121.528 -0.732 . . . . 0.0 109.52 179.541 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 N--CA 1.493 1.681 0 O-C-N 120.927 -1.108 . . . . 0.0 109.145 179.383 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 . . . . . 0 N--CA 1.489 1.481 0 CA-C-O 121.379 0.609 . . . . 0.0 109.527 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.6 -39.93 92.97 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.452 -0.78 . . . . 0.0 110.387 -179.177 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -65.16 -40.51 94.42 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.062 -1.024 . . . . 0.0 110.628 -178.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.42 -39.52 96.35 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.558 -1.817 . . . . 0.0 108.558 179.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 9' ' ' GLN . 77.8 mt -68.75 -40.04 80.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.778 -0.836 . . . . 0.0 110.576 -179.882 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -59.92 -49.35 78.02 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.032 -1.042 . . . . 0.0 110.051 -179.286 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -65.68 -40.17 92.09 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.968 -1.083 . . . . 0.0 108.49 179.764 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.92 -27.79 64.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.556 -0.715 . . . . 0.0 110.209 179.452 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 5' ' ' ILE . 26.7 tt0 -60.51 138.79 57.97 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.033 -1.042 . . . . 0.0 109.547 -178.839 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -172.99 166.91 5.06 Favored 'General case' 0 N--CA 1.492 1.644 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 -179.633 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.41 165.64 1.45 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.906 -1.121 . . . . 0.0 109.756 -179.302 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -72.86 92.87 1.64 Allowed 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.228 -0.92 . . . . 0.0 110.266 -178.586 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 84.7 mt-10 -102.38 -162.57 0.93 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.601 -0.687 . . . . 0.0 109.829 179.755 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -70.03 -30.68 68.02 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -60.29 -39.01 85.42 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 179.541 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.86 -39.72 86.19 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.19 -0.944 . . . . 0.0 109.225 179.971 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 95.0 p -60.11 -41.12 91.92 Favored 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.785 -1.197 . . . . 0.0 108.626 -179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -106.64 90.24 3.27 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.402 -0.811 . . . . 0.0 109.388 178.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 53.2 p-90 -70.13 -25.92 63.7 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.926 -1.109 . . . . 0.0 109.544 179.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -60.72 -40.05 90.86 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.181 -0.95 . . . . 0.0 110.468 -179.409 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.55 -40.25 95.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.98 -1.075 . . . . 0.0 109.374 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.464 ' SD ' ' C ' ' A' ' 22' ' ' MET . 14.6 tmm? -63.54 -40.02 95.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.402 -0.811 . . . . 0.0 109.3 179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.52 -42.27 96.11 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.116 -0.99 . . . . 0.0 109.33 179.51 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.5 m -67.65 -40.13 84.54 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.342 -0.849 . . . . 0.0 110.106 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -60.94 -39.93 91.33 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.252 -0.905 . . . . 0.0 109.973 -179.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -98.4 0.04 44.59 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.382 -0.824 . . . . 0.0 109.142 179.72 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.9 m120 54.81 47.31 22.66 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.627 -0.67 . . . . 0.0 110.605 179.257 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.0 mt -118.35 151.3 49.28 Favored Pre-proline 0 N--CA 1.504 2.246 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.171 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' VAL . 55.6 Cg_endo -69.47 150.68 70.31 Favored 'Trans proline' 0 N--CA 1.491 1.353 0 C-N-CA 121.504 1.47 . . . . 0.0 111.305 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.37 -21.35 0.12 Allowed 'Trans proline' 0 N--CA 1.491 1.359 0 C-N-CA 122.098 1.865 . . . . 0.0 112.664 -179.892 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 55.3 t -60.08 -49.88 82.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.935 -1.103 . . . . 0.0 111.211 -177.979 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.58 -40.71 82.27 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.761 0 O-C-N 120.881 -1.137 . . . . 0.0 108.853 -179.773 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.2 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.534 -0.729 . . . . 0.0 110.012 179.864 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -60.9 -37.72 83.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.027 -1.046 . . . . 0.0 109.996 179.317 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -60.0 -41.36 91.92 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.765 -1.209 . . . . 0.0 109.402 -179.37 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.22 -40.13 86.58 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 120.818 -1.176 . . . . 0.0 108.108 179.247 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -62.76 -40.01 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-O 121.45 0.643 . . . . 0.0 109.293 179.335 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.76 -39.74 95.02 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.511 -0.743 . . . . 0.0 109.849 -179.632 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.7 m -72.92 -40.0 65.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.23 -0.919 . . . . 0.0 110.232 -179.154 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 12.1 t -76.83 112.82 13.84 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.057 -1.027 . . . . 0.0 109.179 -179.981 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.31 -39.91 88.64 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.442 -0.786 . . . . 0.0 110.819 -179.167 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.76 -39.96 90.69 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.15 -0.969 . . . . 0.0 110.114 -179.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 47.4 m -76.74 -27.91 55.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.091 -1.006 . . . . 0.0 109.62 -179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -74.82 -72.56 0.29 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.441 -0.787 . . . . 0.0 110.559 -177.917 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 64.8 mt -74.4 110.95 9.11 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.324 -179.466 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -89.98 -79.98 0.33 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.14 -0.975 . . . . 0.0 109.96 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.53 154.1 50.73 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 110.121 -1.191 . . . . 0.0 110.121 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -75.17 138.86 42.29 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.289 -1.124 . . . . 0.0 109.787 179.985 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.73 -44.14 2.23 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.334 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 45.7 ttm -66.88 138.46 57.32 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.395 -0.816 . . . . 0.0 110.043 -179.704 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -83.92 171.22 13.24 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.575 -0.703 . . . . 0.0 109.598 -179.942 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.17 9.06 0.05 OUTLIER Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.952 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -131.22 46.72 2.63 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.543 -0.975 . . . . 0.0 109.641 -179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 85.2 t -97.37 124.35 50.22 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.765 0 O-C-N 121.251 -0.905 . . . . 0.0 109.344 179.773 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 117.993 -1.003 . . . . 0.0 109.416 -179.909 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 121.374 0.607 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.55 -39.96 92.96 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.418 -0.801 . . . . 0.0 110.363 -179.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -65.13 -40.38 94.36 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.098 -1.001 . . . . 0.0 110.797 -178.994 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.59 -39.54 96.63 Favored Glycine 0 N--CA 1.489 2.197 0 N-CA-C 108.474 -1.85 . . . . 0.0 108.474 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' B' ' 9' ' ' GLN . 77.3 mt -68.7 -40.0 81.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.804 -0.821 . . . . 0.0 110.717 -179.838 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -59.92 -49.23 78.5 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.039 -1.038 . . . . 0.0 110.101 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -65.82 -39.95 91.34 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 121.003 -1.061 . . . . 0.0 108.405 179.814 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.4 63.54 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.608 -0.682 . . . . 0.0 110.339 179.448 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 5' ' ' ILE . 26.7 tt0 -60.89 138.53 58.14 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.955 -1.091 . . . . 0.0 109.675 -178.914 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -172.82 166.98 5.26 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 -179.518 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.63 165.94 1.49 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.912 -1.118 . . . . 0.0 109.682 -179.134 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -73.01 92.6 1.67 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.208 -0.932 . . . . 0.0 110.329 -178.46 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -102.06 -162.61 0.94 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.557 -0.714 . . . . 0.0 109.753 179.799 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -69.8 -31.0 68.66 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 178.844 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 46.7 m-85 -60.02 -38.83 83.84 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.584 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -60.0 -39.91 87.42 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.094 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 91.9 p -59.98 -41.09 91.25 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 118.962 -1.095 . . . . 0.0 108.626 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -106.71 90.01 3.2 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.372 -0.83 . . . . 0.0 109.465 178.685 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.06 -25.59 63.61 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.038 -1.039 . . . . 0.0 109.727 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 57.7 mtp180 -61.06 -40.05 92.17 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.016 -1.053 . . . . 0.0 110.271 -179.389 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.15 95.18 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.041 -1.037 . . . . 0.0 109.536 179.946 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.473 ' SD ' ' C ' ' B' ' 22' ' ' MET . 14.6 tmm? -63.7 -40.01 95.73 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.389 -0.82 . . . . 0.0 109.254 179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.38 -42.34 95.66 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.188 -0.945 . . . . 0.0 109.376 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.2 m -67.69 -39.92 84.41 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.277 -0.889 . . . . 0.0 110.25 -179.989 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -61.13 -39.94 91.94 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.239 -0.913 . . . . 0.0 109.818 -179.162 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -98.3 -0.19 44.36 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.24 -0.913 . . . . 0.0 109.216 179.688 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m120 55.18 46.83 23.03 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.596 -0.69 . . . . 0.0 110.707 179.153 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -117.95 151.55 49.03 Favored Pre-proline 0 N--CA 1.502 2.148 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 179.306 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.441 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.6 Cg_endo -69.67 150.82 69.27 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 121.541 1.494 . . . . 0.0 111.336 179.989 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -41.43 -21.45 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.148 1.899 . . . . 0.0 112.669 -179.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' B' ' 29' ' ' PRO . 55.7 t -60.05 -50.06 81.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 120.915 -1.115 . . . . 0.0 111.27 -178.194 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.4 t -68.42 -40.89 82.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 C-N-CA 118.737 -1.185 . . . . 0.0 108.824 -179.781 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -44.17 96.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.528 -0.733 . . . . 0.0 110.05 179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -60.8 -37.7 82.84 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 110.016 179.316 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -59.94 -41.33 91.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.834 -1.166 . . . . 0.0 109.429 -179.352 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.29 -40.07 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 120.817 -1.177 . . . . 0.0 108.049 179.274 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.73 -40.02 87.0 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 CA-C-O 121.507 0.67 . . . . 0.0 109.359 179.297 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.83 -39.75 94.97 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.497 -0.752 . . . . 0.0 109.852 -179.585 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 65.3 m -73.05 -39.95 65.51 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.216 -0.928 . . . . 0.0 110.266 -179.262 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.88 112.58 13.63 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.005 -1.059 . . . . 0.0 109.147 179.841 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -60.07 -40.14 88.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.371 -0.831 . . . . 0.0 110.826 -179.258 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.63 -40.06 90.56 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.037 -1.039 . . . . 0.0 109.911 -179.226 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 46.2 m -76.41 -27.93 56.47 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.177 -0.952 . . . . 0.0 109.745 179.958 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.05 -72.31 0.31 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.343 -0.848 . . . . 0.0 110.532 -177.733 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 64.3 mt -74.39 111.03 9.17 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.097 -1.002 . . . . 0.0 109.312 -179.557 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -90.11 -79.95 0.33 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.067 -1.02 . . . . 0.0 110.051 179.735 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.8 154.54 50.9 Favored Glycine 0 N--CA 1.492 2.387 0 N-CA-C 110.099 -1.2 . . . . 0.0 110.099 -179.403 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -75.46 138.72 41.81 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.268 -1.136 . . . . 0.0 109.882 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -122.58 -44.51 2.23 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.49 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 46.8 ttm -66.57 138.68 57.65 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 121.41 -0.806 . . . . 0.0 109.973 -179.638 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -84.01 171.56 12.85 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.512 -179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -169.8 9.45 0.05 OUTLIER Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 179.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -131.42 46.86 2.6 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.42 -1.047 . . . . 0.0 109.544 179.875 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 85.5 t -97.47 124.45 50.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.296 -0.877 . . . . 0.0 109.159 179.776 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 N--CA 1.488 1.473 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.24 179.877 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 121.351 0.596 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.11 -39.92 91.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.361 -0.837 . . . . 0.0 110.292 -179.526 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -61.16 -44.1 97.84 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.209 -0.932 . . . . 0.0 110.04 -179.143 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.93 -39.01 94.99 Favored Glycine 0 N--CA 1.491 2.314 0 N-CA-C 108.91 -1.676 . . . . 0.0 108.91 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 9' ' ' GLN . 61.9 mt -65.61 -39.93 86.5 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.486 -1.009 . . . . 0.0 109.476 179.604 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.98 -48.64 80.86 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.283 -0.885 . . . . 0.0 109.814 -179.209 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.9 -40.95 78.86 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.071 -1.018 . . . . 0.0 109.13 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.79 -28.63 64.8 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.607 -0.683 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 5' ' ' ILE . 63.9 tt0 -61.6 139.68 58.24 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.993 -1.067 . . . . 0.0 109.34 -178.862 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -165.75 170.35 14.09 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.739 -0.838 . . . . 0.0 108.739 -179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -60.81 151.89 28.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.102 -0.999 . . . . 0.0 110.059 -179.261 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 t60 -66.03 80.08 0.08 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.363 -0.836 . . . . 0.0 110.12 -179.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -101.01 -156.63 0.56 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.463 -0.773 . . . . 0.0 109.09 179.606 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -70.09 -32.16 70.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.187 -0.945 . . . . 0.0 109.608 179.844 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -59.97 -37.44 79.63 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.348 -0.845 . . . . 0.0 109.739 -179.435 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -59.87 -40.13 87.63 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.974 -1.079 . . . . 0.0 109.554 179.689 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 83.9 p -60.01 -41.06 91.33 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.913 -1.117 . . . . 0.0 108.684 179.943 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -97.81 86.34 3.75 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 108.879 178.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 52.8 p-90 -70.02 -26.52 64.09 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.313 -0.867 . . . . 0.0 109.511 -179.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -61.06 -40.0 92.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.136 -0.977 . . . . 0.0 109.472 -179.459 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -40.11 89.96 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.233 -0.917 . . . . 0.0 109.363 179.774 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 31.2 ttm -61.16 -42.1 97.95 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.463 -0.773 . . . . 0.0 109.71 -179.622 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.66 99.81 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.26 -0.9 . . . . 0.0 109.747 -179.847 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -69.1 -40.08 78.6 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.524 -0.735 . . . . 0.0 110.178 -179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -61.05 -40.06 92.2 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.205 -0.935 . . . . 0.0 110.058 -179.384 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -100.26 -0.38 38.68 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.282 -0.886 . . . . 0.0 109.902 -179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 56.12 42.41 28.33 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.392 -0.817 . . . . 0.0 110.076 179.668 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.3 mt -113.84 151.72 44.98 Favored Pre-proline 0 N--CA 1.499 2.021 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' O ' ' N ' ' A' ' 31' ' ' VAL . 54.8 Cg_endo -70.01 149.47 65.37 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 121.208 1.272 . . . . 0.0 110.913 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -40.76 -18.88 0.07 OUTLIER 'Trans proline' 0 C--N 1.312 -1.367 0 C-N-CA 122.111 1.874 . . . . 0.0 112.74 -179.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 ' N ' ' O ' ' A' ' 29' ' ' PRO . 57.4 t -60.09 -49.94 82.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 120.896 -1.128 . . . . 0.0 110.969 -177.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -67.89 -43.25 86.06 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.716 0 O-C-N 120.853 -1.154 . . . . 0.0 109.63 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.36 96.55 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.116 -0.99 . . . . 0.0 109.234 179.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -60.42 -38.3 83.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.928 . . . . 0.0 109.774 179.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.94 -42.82 94.85 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.106 -0.996 . . . . 0.0 109.507 -179.059 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.6 mt -61.62 -40.15 85.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.583 0 O-C-N 121.087 -1.008 . . . . 0.0 108.81 179.921 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.88 -40.02 87.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 O-C-N 121.313 -0.867 . . . . 0.0 109.521 179.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -65.28 -38.95 91.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.455 -0.778 . . . . 0.0 109.51 -179.603 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.6 m -73.52 -40.01 64.34 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.238 -0.914 . . . . 0.0 109.725 -179.753 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.2 t -76.29 113.75 14.2 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.223 -0.923 . . . . 0.0 109.517 -179.77 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.09 -39.98 94.29 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.362 -0.836 . . . . 0.0 110.49 -179.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -60.12 -40.43 89.69 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.263 -0.898 . . . . 0.0 110.723 -179.123 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 61.0 m -78.17 -30.63 49.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.912 -1.117 . . . . 0.0 109.738 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -79.55 -70.04 0.54 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.38 -0.825 . . . . 0.0 110.059 -178.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.6 134.65 45.27 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.162 -0.961 . . . . 0.0 109.817 -179.398 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -90.03 -17.49 27.7 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.372 -0.83 . . . . 0.0 109.619 179.983 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.39 21.85 57.71 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -90.02 13.53 14.61 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.427 -1.043 . . . . 0.0 109.487 179.972 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.74 136.25 10.86 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.194 -0.941 . . . . 0.0 109.596 -179.375 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.442 ' O ' ' O ' ' B' ' 50' ' ' MET . 63.7 mtt -69.66 140.05 53.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.281 -0.887 . . . . 0.0 109.414 -179.725 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -156.29 146.14 21.11 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.178 -0.951 . . . . 0.0 109.363 179.682 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.58 152.15 20.25 Favored Glycine 0 N--CA 1.496 2.671 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 -179.797 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -89.98 0.32 57.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.319 -1.107 . . . . 0.0 108.78 179.527 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 54' ' ' VAL . 31.5 m -93.46 141.78 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 121.426 -0.796 . . . . 0.0 109.845 -179.586 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' OD1' ' OXT' ' A' ' 55' ' ' ASP . 41.1 t0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.512 -179.891 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.396 0.617 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.08 -40.07 92.29 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.257 -0.902 . . . . 0.0 110.358 -179.513 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -60.94 -44.25 97.53 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.236 -0.915 . . . . 0.0 110.084 -179.211 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.07 -38.93 95.06 Favored Glycine 0 N--CA 1.489 2.23 0 N-CA-C 108.878 -1.689 . . . . 0.0 108.878 179.851 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' B' ' 9' ' ' GLN . 62.0 mt -65.44 -40.06 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.496 -1.002 . . . . 0.0 109.441 179.546 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.98 -48.53 81.33 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.213 -0.929 . . . . 0.0 109.789 -179.073 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -69.0 -40.92 78.44 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.088 -1.007 . . . . 0.0 109.191 179.656 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.89 -28.38 64.5 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.735 -0.603 . . . . 0.0 110.245 179.875 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' B' ' 5' ' ' ILE . 63.9 tt0 -61.59 139.79 58.22 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.019 -1.051 . . . . 0.0 109.311 -179.004 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -166.1 170.2 13.7 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 -179.736 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -60.6 152.25 26.77 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.187 -0.946 . . . . 0.0 109.993 -179.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -66.51 80.19 0.1 Allowed 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.361 -0.837 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -101.07 -156.58 0.56 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.496 -0.753 . . . . 0.0 109.09 179.495 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -70.02 -32.19 70.22 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.219 -0.926 . . . . 0.0 109.664 179.862 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -59.97 -37.35 79.35 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.319 -0.863 . . . . 0.0 109.748 -179.389 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -60.07 -39.98 87.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.966 -1.084 . . . . 0.0 109.54 179.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 83.6 p -60.0 -41.06 91.3 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.925 -1.109 . . . . 0.0 108.627 179.839 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -97.76 86.31 3.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.43 -0.794 . . . . 0.0 108.988 179.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 52.3 p-90 -70.02 -26.57 64.12 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.213 -0.929 . . . . 0.0 109.529 -179.806 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -61.11 -40.01 92.14 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.184 -0.948 . . . . 0.0 109.424 -179.39 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.15 89.88 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.139 -0.975 . . . . 0.0 109.354 179.705 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 31.4 ttm -61.06 -42.37 98.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.482 -0.761 . . . . 0.0 109.683 -179.644 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.86 99.91 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.399 -0.813 . . . . 0.0 109.679 -179.777 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 24.0 t -69.01 -40.01 78.95 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.423 -0.798 . . . . 0.0 110.187 -179.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -61.07 -39.99 91.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.246 -0.909 . . . . 0.0 110.091 -179.382 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -100.39 -0.38 38.32 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.248 -0.907 . . . . 0.0 109.954 -179.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.9 m120 56.12 42.44 28.29 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.489 -0.757 . . . . 0.0 110.084 179.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 mt -113.89 151.6 44.91 Favored Pre-proline 0 N--CA 1.501 2.097 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 179.408 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' B' ' 31' ' ' VAL . 55.4 Cg_endo -69.95 149.26 65.42 Favored 'Trans proline' 0 C--N 1.312 -1.392 0 C-N-CA 121.286 1.324 . . . . 0.0 110.93 179.828 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -40.62 -19.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.161 1.907 . . . . 0.0 112.628 -179.553 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' B' ' 29' ' ' PRO . 61.9 t -59.95 -50.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 120.876 -1.14 . . . . 0.0 111.106 -177.953 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.8 -43.28 86.36 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 120.903 -1.123 . . . . 0.0 109.569 -179.232 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.59 97.2 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 109.211 179.696 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -60.19 -38.31 82.89 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.211 -0.931 . . . . 0.0 109.768 179.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.7 tm-20 -59.92 -42.94 95.03 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.102 -0.999 . . . . 0.0 109.545 -179.072 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.8 mt -61.52 -39.96 84.79 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 O-C-N 121.146 -0.972 . . . . 0.0 108.938 179.887 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.1 t -63.06 -40.0 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.422 -0.799 . . . . 0.0 109.47 179.548 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -65.24 -39.0 92.13 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.494 -0.754 . . . . 0.0 109.493 -179.547 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 71.6 m -73.49 -39.95 64.46 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.348 -0.845 . . . . 0.0 109.787 -179.788 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 11.4 t -76.33 113.83 14.34 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.05 -40.03 94.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.29 -0.881 . . . . 0.0 110.498 -179.588 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -60.16 -40.26 89.28 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.189 -0.944 . . . . 0.0 110.739 -179.055 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.38 -30.59 47.97 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.998 -1.064 . . . . 0.0 109.676 -179.859 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 7.2 tt0 -79.57 -70.07 0.54 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.361 -0.837 . . . . 0.0 110.028 -178.764 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -72.51 134.66 45.38 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.202 -0.936 . . . . 0.0 109.836 -179.337 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -89.99 -17.34 28.05 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.4 -0.812 . . . . 0.0 109.591 179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 21.81 58.01 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.321 -1.511 . . . . 0.0 109.321 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -89.92 13.49 14.53 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.372 -1.075 . . . . 0.0 109.462 -179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -47.64 136.41 10.39 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.14 -0.975 . . . . 0.0 109.636 -179.349 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' MET . 63.3 mtt -69.9 139.92 53.04 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.227 -0.921 . . . . 0.0 109.388 -179.722 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 15.1 p80 -156.14 145.86 21.07 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.417 179.687 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -95.27 152.08 20.28 Favored Glycine 0 N--CA 1.496 2.646 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 -179.854 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -89.96 0.23 57.2 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.412 -1.052 . . . . 0.0 108.674 179.538 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 31.6 m -93.44 141.64 14.45 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.464 -0.773 . . . . 0.0 109.881 -179.564 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' OXT' ' OD1' ' B' ' 55' ' ' ASP . 41.7 t0 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.517 -179.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.344 0.592 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.91 -40.9 94.88 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.383 -0.823 . . . . 0.0 110.814 -178.851 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -60.98 -45.68 93.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.078 -1.014 . . . . 0.0 110.269 -179.099 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.46 -38.8 96.37 Favored Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.189 -1.564 . . . . 0.0 109.189 179.797 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.08 -39.9 87.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.618 -0.931 . . . . 0.0 110.175 -179.765 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.26 -43.57 96.04 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.718 -1.239 . . . . 0.0 109.995 -179.103 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -69.62 -40.42 76.59 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.0 -1.062 . . . . 0.0 108.628 179.432 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.39 -31.02 68.08 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.532 -0.73 . . . . 0.0 110.084 179.374 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -61.07 139.93 57.97 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.894 -1.129 . . . . 0.0 109.099 -178.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -169.07 159.88 9.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.345 -0.847 . . . . 0.0 109.17 -179.255 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.48 162.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.502 -0.749 . . . . 0.0 110.207 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.483 ' CE1' ' SG ' ' A' ' 43' ' ' CYS . 75.6 t60 -71.07 70.86 0.54 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.334 -0.854 . . . . 0.0 109.655 -179.685 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -82.25 -174.17 4.97 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.566 -0.709 . . . . 0.0 109.718 179.986 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -68.46 -24.93 64.76 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -60.06 -33.77 72.51 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.359 -0.838 . . . . 0.0 109.66 -179.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -59.96 -40.81 90.31 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.876 -1.14 . . . . 0.0 109.229 -179.736 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -60.91 -46.95 88.59 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.028 -1.045 . . . . 0.0 108.186 179.31 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.29 79.32 4.46 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 178.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -69.97 -23.34 63.15 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.675 -179.56 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -60.95 -40.19 92.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.306 -0.871 . . . . 0.0 110.322 -179.045 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.16 96.62 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.893 -1.13 . . . . 0.0 109.403 -179.884 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.0 ttp -62.99 -39.96 96.32 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.719 -179.644 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.42 -46.43 88.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.118 -0.989 . . . . 0.0 109.367 179.672 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 69.8 m -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.217 -0.927 . . . . 0.0 110.087 -179.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -61.82 -40.15 94.28 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.44 -0.788 . . . . 0.0 109.82 -179.305 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -99.46 1.3 43.97 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.275 -0.891 . . . . 0.0 109.707 -179.83 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ALA . 83.6 m-20 54.37 47.69 22.34 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.415 -0.803 . . . . 0.0 110.465 179.687 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 33.5 mt -119.67 150.75 50.86 Favored Pre-proline 0 N--CA 1.503 2.178 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 179.222 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' O ' ' N ' ' A' ' 31' ' ' VAL . 50.3 Cg_endo -69.77 152.15 69.16 Favored 'Trans proline' 0 N--CA 1.491 1.349 0 C-N-CA 121.588 1.525 . . . . 0.0 111.073 179.617 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -42.55 -17.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 C-N-CA 122.101 1.867 . . . . 0.0 112.472 -179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.496 ' N ' ' O ' ' A' ' 29' ' ' PRO . 98.0 t -60.02 -54.66 31.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 120.978 -1.076 . . . . 0.0 111.179 -178.312 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -67.88 -40.75 84.07 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.1 -1.0 . . . . 0.0 108.983 -179.404 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.89 86.07 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.437 -0.789 . . . . 0.0 110.045 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.98 -39.81 95.84 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.929 -1.107 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.4 tm-20 -60.55 -40.27 90.94 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.843 -1.161 . . . . 0.0 109.7 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.1 -39.93 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.058 -1.026 . . . . 0.0 108.401 179.637 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.0 t -65.15 -40.17 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.517 -0.739 . . . . 0.0 109.284 179.134 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.65 -30.09 69.55 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.457 -0.777 . . . . 0.0 109.947 -179.313 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.2 m -73.07 -33.91 65.92 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.123 -0.986 . . . . 0.0 109.483 -179.527 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.64 112.04 11.59 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.196 -0.94 . . . . 0.0 109.403 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.38 -40.09 89.59 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.494 -0.754 . . . . 0.0 110.379 -179.815 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -60.25 -41.21 92.72 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.196 -0.94 . . . . 0.0 110.229 -178.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.483 ' SG ' ' CE1' ' A' ' 12' ' ' HIS . 52.9 m -77.92 -29.96 50.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.047 -1.033 . . . . 0.0 109.773 -179.805 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.1 -69.85 0.54 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.471 -0.768 . . . . 0.0 111.47 -177.625 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.7 mt -70.5 129.09 38.3 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.885 -1.134 . . . . 0.0 110.192 -178.623 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -90.83 -167.48 1.83 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.291 -0.881 . . . . 0.0 108.931 179.191 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.15 163.29 0.79 Allowed Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.065 -1.614 . . . . 0.0 109.065 179.517 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -69.28 140.9 54.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.995 -1.297 . . . . 0.0 110.109 -179.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' B' ' 49' ' ' ALA . . . -83.04 150.83 26.09 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.415 -0.803 . . . . 0.0 109.718 -179.946 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 25.4 ptm -89.98 146.27 24.49 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.255 -0.903 . . . . 0.0 109.663 179.714 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.6 t-80 -60.7 -41.12 94.56 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.238 -0.914 . . . . 0.0 109.547 179.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 134.12 -150.14 19.93 Favored Glycine 0 N--CA 1.495 2.598 0 N-CA-C 109.14 -1.584 . . . . 0.0 109.14 -179.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -86.6 130.67 34.4 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.129 -1.218 . . . . 0.0 109.371 -179.939 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.09 133.6 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.343 -0.848 . . . . 0.0 109.344 179.887 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.493 1.721 0 CA-C-O 117.938 -1.029 . . . . 0.0 109.841 -179.566 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 . . . . . 0 N--CA 1.489 1.497 0 CA-C-O 121.327 0.584 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.16 -40.39 93.68 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.374 -0.829 . . . . 0.0 110.833 -178.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -61.53 -45.5 93.93 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.112 -0.992 . . . . 0.0 110.125 -179.132 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.76 -38.43 95.92 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.164 -1.575 . . . . 0.0 109.164 -179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 65.6 mt -64.04 -39.96 87.32 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.583 -0.951 . . . . 0.0 110.266 179.943 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -59.99 -43.57 95.06 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.774 -1.204 . . . . 0.0 110.101 -179.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -69.76 -40.37 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.89 -1.131 . . . . 0.0 108.651 179.401 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.38 -30.72 67.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.446 -0.784 . . . . 0.0 110.3 179.421 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -61.16 139.41 58.12 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.1 -1.0 . . . . 0.0 109.223 -178.934 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -168.52 159.99 10.65 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.296 -0.877 . . . . 0.0 109.31 -179.184 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -43.8 162.62 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.326 -0.858 . . . . 0.0 110.1 -179.903 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.471 ' CE1' ' SG ' ' B' ' 43' ' ' CYS . 75.2 t60 -71.0 70.99 0.53 Allowed 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.361 -0.837 . . . . 0.0 109.671 -179.712 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -82.28 -174.49 5.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.588 -0.695 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.249 -0.907 . . . . 0.0 108.73 179.767 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -59.98 -33.61 72.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.205 -0.935 . . . . 0.0 109.713 -179.531 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -60.14 -40.42 89.76 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.872 -1.143 . . . . 0.0 109.311 -179.58 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 96.0 p -61.28 -46.76 88.99 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.898 -1.126 . . . . 0.0 108.209 179.199 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.39 78.96 4.41 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.612 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -69.86 -23.09 63.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.246 -0.909 . . . . 0.0 109.755 -179.566 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -61.15 -40.06 92.42 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.255 -0.903 . . . . 0.0 110.291 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.09 -40.2 96.95 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.917 -1.115 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 50.7 ttp -63.02 -40.18 96.99 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.423 -0.798 . . . . 0.0 109.822 -179.558 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.38 -46.26 89.42 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.103 -0.998 . . . . 0.0 109.282 179.42 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 68.4 m -65.04 -39.82 93.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.349 -0.844 . . . . 0.0 110.171 -179.659 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -61.79 -39.98 93.59 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.942 -179.582 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -99.53 0.69 42.87 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.222 -0.924 . . . . 0.0 109.673 -179.705 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 23' ' ' ALA . 83.4 m-20 55.17 47.26 22.12 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.327 -0.858 . . . . 0.0 110.395 179.487 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.9 mt -119.57 150.76 50.64 Favored Pre-proline 0 N--CA 1.502 2.149 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.349 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.484 ' O ' ' N ' ' B' ' 31' ' ' VAL . 50.2 Cg_endo -69.93 152.44 68.43 Favored 'Trans proline' 0 N--CA 1.491 1.368 0 C-N-CA 121.551 1.501 . . . . 0.0 111.256 179.658 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -42.8 -17.12 0.08 OUTLIER 'Trans proline' 0 C--N 1.312 -1.368 0 C-N-CA 121.974 1.783 . . . . 0.0 112.456 -179.73 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' B' ' 29' ' ' PRO . 96.4 t -60.05 -54.4 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.09 -1.006 . . . . 0.0 111.189 -178.346 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.15 -40.98 83.77 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.295 -0.878 . . . . 0.0 108.949 -179.442 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.98 85.87 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.511 -0.743 . . . . 0.0 109.939 179.889 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 54.7 mttm -62.74 -39.93 95.64 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.965 -1.084 . . . . 0.0 110.234 179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -60.37 -40.47 90.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.95 -1.094 . . . . 0.0 109.785 -179.499 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.62 -40.34 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 120.881 -1.137 . . . . 0.0 108.093 179.416 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.6 t -65.32 -39.9 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.651 -0.655 . . . . 0.0 109.277 179.574 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -68.11 -29.68 68.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.411 -0.806 . . . . 0.0 110.099 -179.327 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . . . . . . . . . 68.6 m -73.34 -33.72 65.27 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.134 -0.979 . . . . 0.0 109.359 -179.463 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 38.1 t -75.56 112.1 11.56 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 109.244 179.718 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.76 -39.91 90.52 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.394 -0.816 . . . . 0.0 110.41 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -60.04 -41.36 92.08 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 110.189 -179.07 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . 0.471 ' SG ' ' CE1' ' B' ' 12' ' ' HIS . 46.6 m -77.94 -30.03 50.25 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.008 -1.058 . . . . 0.0 109.726 -179.798 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -79.15 -69.98 0.54 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.288 -0.882 . . . . 0.0 111.457 -177.475 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.37 129.09 38.37 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.854 -1.153 . . . . 0.0 110.115 -178.791 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -90.86 -167.55 1.85 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.47 -0.769 . . . . 0.0 108.94 179.254 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -50.03 163.38 0.75 Allowed Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 179.495 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.48 140.43 54.01 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -1.18 . . . . 0.0 109.951 -179.412 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 49' ' ' ALA . . . -82.36 150.7 27.03 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.444 -0.785 . . . . 0.0 109.863 179.866 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 25.2 ptm -90.07 146.0 24.65 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.177 -0.952 . . . . 0.0 109.655 179.674 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -60.27 -41.08 92.52 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.109 -0.994 . . . . 0.0 109.657 179.269 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 133.98 -150.19 19.91 Favored Glycine 0 N--CA 1.497 2.764 0 N-CA-C 109.04 -1.624 . . . . 0.0 109.04 -179.627 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -86.38 130.95 34.33 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.249 -1.148 . . . . 0.0 109.359 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.4 133.17 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.982 0 O-C-N 121.369 -0.832 . . . . 0.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 118.069 -0.967 . . . . 0.0 109.793 -179.439 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 . . . . . 0 N--CA 1.489 1.516 0 CA-C-O 121.522 0.677 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.08 -40.11 92.46 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.556 -0.715 . . . . 0.0 110.524 -179.384 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 3' ' ' ASP . 8.9 p-10 -61.49 -49.79 75.33 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.162 -0.961 . . . . 0.0 110.495 -179.069 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.61 -38.14 86.26 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 -179.652 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 64.2 mt -64.66 -39.87 87.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.454 -1.027 . . . . 0.0 110.404 -179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -60.05 -41.41 92.26 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.868 -1.145 . . . . 0.0 110.058 -178.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -69.45 -40.0 77.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.031 -1.043 . . . . 0.0 108.675 179.275 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -27.42 63.92 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.681 -0.637 . . . . 0.0 110.092 179.615 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -61.63 126.18 26.42 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.123 -0.985 . . . . 0.0 109.73 -178.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -148.1 -164.12 1.94 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.45 -0.781 . . . . 0.0 109.15 -179.892 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 43.1 mp0 -75.07 158.42 33.18 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.217 -0.927 . . . . 0.0 109.734 179.979 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.37 77.06 2.45 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.324 -0.86 . . . . 0.0 109.548 -179.677 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.86 -156.44 0.56 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.384 -0.823 . . . . 0.0 109.581 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.32 -30.42 68.47 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.204 -0.935 . . . . 0.0 109.22 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 m-85 -60.0 -38.9 83.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.372 -0.83 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.99 -39.99 87.63 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.973 -1.08 . . . . 0.0 108.431 179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 61.2 p -67.67 -39.99 84.48 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.955 -1.091 . . . . 0.0 108.536 179.199 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -94.05 80.71 4.09 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.324 -0.86 . . . . 0.0 109.11 179.382 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 62.3 p-90 -70.06 -27.57 64.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.121 -0.987 . . . . 0.0 109.681 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -60.1 -40.04 88.29 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.226 -0.921 . . . . 0.0 109.727 -179.07 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.76 -41.66 97.94 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.49 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.574 ' CE ' HD12 ' A' ' 36' ' ' ILE . 59.6 ttp -64.12 -40.88 97.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.255 -0.903 . . . . 0.0 109.452 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 27' ' ' ASN . . . -62.63 -40.52 97.25 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.042 -1.036 . . . . 0.0 108.949 179.882 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 58.0 m -68.8 -39.9 79.85 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.499 -0.751 . . . . 0.0 110.287 -179.911 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -61.56 -39.95 92.97 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.763 -179.56 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -98.92 -1.38 40.14 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.409 -0.807 . . . . 0.0 109.519 179.824 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' ALA . 84.7 m-20 53.95 45.92 26.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.342 -0.849 . . . . 0.0 109.74 -179.95 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -113.98 151.2 44.61 Favored Pre-proline 0 N--CA 1.501 2.081 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.542 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' VAL . 59.7 Cg_endo -71.61 149.35 55.12 Favored 'Trans proline' 0 C--N 1.313 -1.315 0 C-N-CA 121.593 1.529 . . . . 0.0 111.364 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -40.95 -20.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.314 -1.27 0 C-N-CA 122.161 1.908 . . . . 0.0 112.56 -179.925 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 29' ' ' PRO . 59.8 t -59.87 -50.82 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.535 0 O-C-N 120.805 -1.184 . . . . 0.0 110.516 -177.824 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 55.0 t -69.61 -42.42 80.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.842 -1.161 . . . . 0.0 109.271 179.485 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.98 95.56 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.297 -0.877 . . . . 0.0 110.014 179.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -62.0 -40.11 94.53 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.23 -0.919 . . . . 0.0 110.028 179.819 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' OE2' ' OG ' ' A' ' 39' ' ' SER . 12.6 tm-20 -59.87 -40.06 87.38 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.064 -1.022 . . . . 0.0 110.344 -178.769 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.574 HD12 ' CE ' ' A' ' 22' ' ' MET . 15.8 mt -61.14 -40.02 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.744 -1.223 . . . . 0.0 108.173 179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -61.1 -39.97 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.263 -0.898 . . . . 0.0 108.765 179.072 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' B' ' 38' ' ' ALA . . . -67.7 -38.61 83.89 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.653 -0.655 . . . . 0.0 109.688 179.84 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' OG ' ' OE2' ' A' ' 35' ' ' GLU . 65.5 m -71.67 -40.12 69.82 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.315 -0.866 . . . . 0.0 109.853 -179.176 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 40.8 t -76.32 115.07 15.7 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.09 -1.006 . . . . 0.0 109.229 179.773 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -60.17 -40.05 88.59 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.353 -0.842 . . . . 0.0 110.176 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.5 mmtm -59.93 -42.27 93.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.153 -0.967 . . . . 0.0 109.855 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.04 -22.64 42.12 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.178 -0.951 . . . . 0.0 109.908 179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -75.97 -71.44 0.38 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.241 -0.912 . . . . 0.0 110.173 -178.345 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.7 mt -77.54 92.96 4.1 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.21 -0.931 . . . . 0.0 108.732 179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -99.61 143.2 30.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.574 -0.704 . . . . 0.0 109.804 -179.672 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.89 -168.01 40.81 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.599 -1.401 . . . . 0.0 109.599 179.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -100.25 128.58 46.3 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.392 -1.064 . . . . 0.0 109.906 -179.829 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.8 -33.52 6.94 Favored 'General case' 0 N--CA 1.498 1.953 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.326 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mtm -87.12 154.21 20.92 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.42 -0.8 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -60.03 147.31 39.6 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.114 -0.991 . . . . 0.0 109.422 -179.735 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.5 -111.1 3.29 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -179.6 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -62.89 126.0 25.86 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.191 -1.182 . . . . 0.0 108.835 179.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.9 p -150.58 15.76 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.108 -0.995 . . . . 0.0 109.334 -179.761 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 N--CA 1.489 1.486 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.639 -179.914 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 N--CA 1.491 1.599 0 CA-C-O 121.499 0.666 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 29.7 mt -61.33 -39.96 92.45 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.581 -0.699 . . . . 0.0 110.531 -179.435 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.522 ' N ' ' OD1' ' B' ' 3' ' ' ASP . 9.1 p-10 -61.34 -50.0 74.7 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.19 -0.944 . . . . 0.0 110.436 -179.173 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.6 -38.05 85.85 Favored Glycine 0 N--CA 1.489 2.195 0 N-CA-C 109.054 -1.618 . . . . 0.0 109.054 -179.579 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 63.5 mt -64.66 -40.09 87.85 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.533 0 O-C-N 121.397 -1.061 . . . . 0.0 110.276 179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -59.93 -41.56 92.06 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.887 -1.133 . . . . 0.0 110.032 -178.718 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -69.29 -40.18 77.88 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.973 -1.079 . . . . 0.0 108.598 179.281 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.55 -27.59 64.26 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.641 -0.662 . . . . 0.0 110.046 179.708 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -61.53 126.19 26.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.08 -1.012 . . . . 0.0 109.734 -178.876 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -148.11 -163.89 1.88 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.487 -0.758 . . . . 0.0 109.088 179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.54 ' OE1' ' N ' ' B' ' 11' ' ' GLU . 42.9 mp0 -75.21 158.52 32.83 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.241 -0.912 . . . . 0.0 109.727 -179.991 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 68.2 t60 -75.39 77.14 2.46 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.278 -0.889 . . . . 0.0 109.594 -179.73 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -100.97 -156.72 0.57 Allowed 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.475 -0.766 . . . . 0.0 109.515 -179.916 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 60.4 mttp -69.16 -30.47 68.7 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.206 -0.934 . . . . 0.0 109.203 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -59.91 -38.98 83.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.428 -0.795 . . . . 0.0 109.148 -179.698 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -59.94 -40.0 87.48 Favored 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 119.181 -1.008 . . . . 0.0 108.5 179.593 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 59.6 p -67.55 -39.97 84.95 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 120.912 -1.118 . . . . 0.0 108.621 179.097 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -94.14 80.6 4.04 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.35 -0.843 . . . . 0.0 109.095 179.457 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -69.98 -27.53 64.79 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.116 -0.99 . . . . 0.0 109.688 -179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 -60.04 -40.14 88.36 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.245 -0.909 . . . . 0.0 109.678 -179.089 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.57 98.24 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.26 -0.9 . . . . 0.0 109.571 -179.938 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' MET . . . . . 0.579 ' CE ' HD12 ' B' ' 36' ' ' ILE . 59.5 ttp -64.19 -41.12 97.22 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.243 -0.91 . . . . 0.0 109.461 -179.905 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' B' ' 27' ' ' ASN . . . -62.39 -40.58 96.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.149 -0.969 . . . . 0.0 109.021 179.852 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 58.1 m -68.6 -40.09 80.58 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.508 -0.745 . . . . 0.0 110.241 -179.977 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -61.46 -40.04 93.05 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.231 -0.918 . . . . 0.0 109.747 -179.543 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -99.03 -1.22 40.25 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.406 -0.809 . . . . 0.0 109.441 179.886 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' B' ' 23' ' ' ALA . 84.4 m-20 53.72 45.9 27.0 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.288 -0.882 . . . . 0.0 109.791 179.985 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 86.8 mt -113.96 151.16 44.56 Favored Pre-proline 0 N--CA 1.5 2.065 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 179.599 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' PRO . . . . . 0.487 ' O ' ' N ' ' B' ' 31' ' ' VAL . 59.6 Cg_endo -71.43 149.3 56.16 Favored 'Trans proline' 0 N--CA 1.493 1.445 0 C-N-CA 121.613 1.542 . . . . 0.0 111.363 -179.982 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -40.96 -20.03 0.08 OUTLIER 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.118 1.879 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' B' ' 29' ' ' PRO . 62.2 t -59.87 -51.02 77.68 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.772 -1.205 . . . . 0.0 110.675 -177.776 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.3 t -69.55 -42.46 80.7 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.703 0 O-C-N 120.817 -1.177 . . . . 0.0 109.207 179.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.72 -41.94 95.61 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.353 -0.842 . . . . 0.0 109.961 179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -61.98 -39.96 93.98 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.095 -1.003 . . . . 0.0 110.087 179.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . 0.428 ' OE2' ' OG ' ' B' ' 39' ' ' SER . 12.4 tm-20 -60.1 -39.92 87.84 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.079 -1.013 . . . . 0.0 110.376 -178.841 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.579 HD12 ' CE ' ' B' ' 22' ' ' MET . 16.2 mt -61.3 -39.89 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 120.771 -1.205 . . . . 0.0 108.169 179.825 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.02 -40.07 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.177 -0.952 . . . . 0.0 108.795 178.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.501 ' O ' ' NE2' ' B' ' 44' ' ' GLN . . . -67.54 -38.82 84.76 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.677 -0.64 . . . . 0.0 109.726 179.831 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' SER . . . . . 0.428 ' OG ' ' OE2' ' B' ' 35' ' ' GLU . 61.0 m -71.51 -40.04 70.4 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.302 -0.874 . . . . 0.0 109.906 -179.254 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' CYS . . . . . . . . . . . . . 42.8 t -76.45 114.86 15.63 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.125 -0.985 . . . . 0.0 109.157 179.826 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -60.1 -40.01 88.12 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.452 -0.78 . . . . 0.0 110.155 -179.687 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm -60.08 -42.22 94.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.175 -0.953 . . . . 0.0 109.92 -179.083 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' CYS . . . . . . . . . . . . . 32.7 m -80.12 -22.44 42.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.858 179.851 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' GLN . . . . . 0.501 ' NE2' ' O ' ' B' ' 38' ' ' ALA . 33.7 tt0 -76.23 -71.19 0.4 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.183 -0.948 . . . . 0.0 110.259 -178.45 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 73.4 mt -77.82 92.93 4.27 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.155 -0.966 . . . . 0.0 108.786 179.92 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -99.56 143.03 30.27 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.54 -0.725 . . . . 0.0 109.852 -179.696 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.89 -168.06 40.87 Favored Glycine 0 N--CA 1.493 2.463 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 179.865 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -100.2 128.15 46.33 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.308 -1.113 . . . . 0.0 109.914 -179.742 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.48 -33.37 7.08 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.504 -0.748 . . . . 0.0 108.986 179.324 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 75.1 mtm -87.34 154.28 20.8 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.5 -0.75 . . . . 0.0 109.168 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -59.97 147.19 39.76 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.025 -1.047 . . . . 0.0 109.507 -179.719 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.45 -111.4 3.32 Favored Glycine 0 N--CA 1.501 3.014 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.496 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 56.1 tp60 -62.95 126.46 27.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.182 -1.187 . . . . 0.0 108.724 -179.933 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 p -150.69 15.36 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 O-C-N 121.158 -0.964 . . . . 0.0 109.42 -179.643 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 . . . . . 0 N--CA 1.489 1.504 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.53 -179.77 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_